CAS RN: 32124-76-8
CAS Name: 3-[(E)-5-(4-tert-butylphenoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane
OPENEYE Name: 3-[(E)-5-(4-tert-butylphenoxy)-3-methyl-pent-3-enyl]-2,2-dimethyl-oxirane
IUPAC Name: 3-[(E)-5-(4-tert-butylphenoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane
SYSTEMATIC NAME: 3-[(E)-5-(4-tert-butylphenoxy)-3-methyl-pent-3-enyl]-2,2-dimethyl-oxirane
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C/C(=C\COC1=CC=C(C=C1)C(C)(C)C)/CCC2C(O2)(C)C
Structure:
CAS RN: 40621-43-0
CAS Name: 1-[(E)-3,7-dimethyl-7-propoxyoct-2-enoxy]-4-ethylbenzene
OPENEYE Name: 1-[(E)-3,7-dimethyl-7-propoxy-oct-2-enoxy]-4-ethyl-benzene
IUPAC Name: 1-[(E)-3,7-dimethyl-7-propoxyoct-2-enoxy]-4-ethylbenzene
SYSTEMATIC NAME: 1-[(E)-3,7-dimethyl-7-propoxy-oct-2-enoxy]-4-ethyl-benzene
MOLECULAR FORMULA: C21H34O2
MOLECULAR WEIGHT: 318.49346
SMILES: CCCOC(C)(C)CCC/C(=C/COC1=CC=C(C=C1)CC)/C
Structure:
CAS RN: 60374-53-0
CAS Name: 2-ethyl-2-methyl-3-[(E)-3-methyl-5-(4-propylphenoxy)pent-3-enyl]oxirane
OPENEYE Name: 2-ethyl-2-methyl-3-[(E)-3-methyl-5-(4-propylphenoxy)pent-3-enyl]oxirane
IUPAC Name: 2-ethyl-2-methyl-3-[(E)-3-methyl-5-(4-propylphenoxy)pent-3-enyl]oxirane
SYSTEMATIC NAME: 2-ethyl-2-methyl-3-[(E)-3-methyl-5-(4-propylphenoxy)pent-3-enyl]oxirane
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CCCC1=CC=C(C=C1)OC/C=C(\C)/CCC2C(O2)(C)CC
Structure:
CAS RN: 60374-55-2
CAS Name: 2-ethyl-3-[(E)-5-(3-ethylphenoxy)-3-methylpent-3-enyl]-2-methyloxirane
OPENEYE Name: 2-ethyl-3-[(E)-5-(3-ethylphenoxy)-3-methyl-pent-3-enyl]-2-methyl-oxirane
IUPAC Name: 2-ethyl-3-[(E)-5-(3-ethylphenoxy)-3-methylpent-3-enyl]-2-methyloxirane
SYSTEMATIC NAME: 2-ethyl-3-[(E)-5-(3-ethylphenoxy)-3-methyl-pent-3-enyl]-2-methyl-oxirane
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: CCC1=CC(=CC=C1)OC/C=C(\C)/CCC2C(O2)(C)CC
Structure:
CAS RN: 60374-56-3
CAS Name: 2-ethyl-3-[(E)-5-(4-ethylphenoxy)-3-methylpent-3-enyl]-2-methyloxirane
OPENEYE Name: 2-ethyl-3-[(E)-5-(4-ethylphenoxy)-3-methyl-pent-3-enyl]-2-methyl-oxirane
IUPAC Name: 2-ethyl-3-[(E)-5-(4-ethylphenoxy)-3-methylpent-3-enyl]-2-methyloxirane
SYSTEMATIC NAME: 2-ethyl-3-[(E)-5-(4-ethylphenoxy)-3-methyl-pent-3-enyl]-2-methyl-oxirane
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: CCC1=CC=C(C=C1)OC/C=C(\C)/CCC2C(O2)(C)CC
Structure:
CAS RN: 20322-51-4
CAS Name: (Z)-3-ethylsulfonyl-1,2-diphenyl-2-propen-1-one
OPENEYE Name: (Z)-3-ethylsulfonyl-1,2-diphenyl-prop-2-en-1-one
IUPAC Name: (Z)-3-ethylsulfonyl-1,2-diphenylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-3-ethylsulfonyl-1,2-diphenyl-prop-2-en-1-one
MOLECULAR FORMULA: C17H16O3S
MOLECULAR WEIGHT: 300.37214
SMILES: CCS(=O)(=O)/C=C(/C1=CC=CC=C1)\C(=O)C2=CC=CC=C2
Structure:
CAS RN: 4121-25-9
CAS Name: N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine
OPENEYE Name: N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine
IUPAC Name: N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine
MOLECULAR FORMULA: C9H12N4
MOLECULAR WEIGHT: 176.21838
SMILES: CN(C)CC1=CNC2=NC=CN=C12
Structure:
CAS RN: 14628-68-3
CAS Name: 3-(3-methyl-7H-pyrrolo[2,3-c]pyridazin-6-yl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(3-methyl-7H-pyrrolo[2,3-c]pyridazin-6-yl)propanoate
IUPAC Name: ethyl 3-(3-methyl-7H-pyrrolo[2,3-c]pyridazin-6-yl)propanoate
SYSTEMATIC NAME: ethyl 3-(3-methyl-7H-pyrrolo[2,3-c]pyridazin-6-yl)propanoate
MOLECULAR FORMULA: C12H15N3O2
MOLECULAR WEIGHT: 233.2664
SMILES: CCOC(=O)CCC1=CC2=CC(=NN=C2N1)C
Structure:
CAS RN: 61457-68-9
CAS Name: 3-(3-methyl-5-nitro-7H-pyrrolo[2,3-c]pyridazin-6-yl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(3-methyl-5-nitro-7H-pyrrolo[2,3-c]pyridazin-6-yl)propanoate
IUPAC Name: ethyl 3-(3-methyl-5-nitro-7H-pyrrolo[2,3-c]pyridazin-6-yl)propanoate
SYSTEMATIC NAME: ethyl 3-(3-methyl-5-nitro-7H-pyrrolo[2,3-c]pyridazin-6-yl)propanoate
MOLECULAR FORMULA: C12H14N4O4
MOLECULAR WEIGHT: 278.26396
SMILES: CCOC(=O)CCC1=C(C2=CC(=NN=C2N1)C)[N+](=O)[O-]
Structure:
CAS RN: 13231-82-8
CAS Name: (4Z)-2,3,4,5-tetraiodohexa-2,4-diene-1,6-diol
OPENEYE Name: (4Z)-2,3,4,5-tetraiodohexa-2,4-diene-1,6-diol
IUPAC Name: (4Z)-2,3,4,5-tetraiodohexa-2,4-diene-1,6-diol
SYSTEMATIC NAME: (4Z)-2,3,4,5-tetrakis(iodanyl)hexa-2,4-diene-1,6-diol
MOLECULAR FORMULA: C6H6I4O2
MOLECULAR WEIGHT: 617.72852
SMILES: C(C(=C(/C(=C(\CO)/I)/I)I)I)O
Structure:
CAS RN: 15037-61-3
CAS Name: N-methylcarbamic acid [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] ester
OPENEYE Name: [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] N-methylcarbamate
IUPAC Name: [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] N-methylcarbamate
SYSTEMATIC NAME: [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] N-methylcarbamate
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: C/C=C\C1=CC(=C(C=C1)OC(=O)NC)OC
Structure:
CAS RN: 83364-68-5
CAS Name: 3-nitro-N-[(2-oxo-1-naphthalenylidene)methyl]benzenesulfenamide
OPENEYE Name: 1-[[(3-nitrophenyl)sulfanylamino]methylene]naphthalen-2-one
IUPAC Name: 1-[[(3-nitrophenyl)sulfanylamino]methylidene]naphthalen-2-one
SYSTEMATIC NAME: 1-[[(3-nitrophenyl)sulfanylamino]methylidene]naphthalen-2-one
MOLECULAR FORMULA: C17H12N2O3S
MOLECULAR WEIGHT: 324.35378
SMILES: C1=CC=C2C(=C1)C=CC(=O)C2=CNSC3=CC=CC(=C3)[N+](=O)[O-]
Structure:
CAS RN: 57272-50-1
CAS Name: 3-nitro-N-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzenesulfenamide
OPENEYE Name: (6E)-6-[[(3-nitrophenyl)sulfanylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[[(3-nitrophenyl)sulfanylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[(3-nitrophenyl)sulfanylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H10N2O3S
MOLECULAR WEIGHT: 274.2951
SMILES: C1=C/C(=C\NSC2=CC=CC(=C2)[N+](=O)[O-])/C(=O)C=C1
Structure:
CAS RN: 57272-47-6
CAS Name: 4-methyl-N-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzenesulfenamide
OPENEYE Name: 6-[(p-tolylsulfanylamino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[[(4-methylphenyl)sulfanylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[(4-methylphenyl)sulfanylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H13NOS
MOLECULAR WEIGHT: 243.32412
SMILES: CC1=CC=C(C=C1)SNC=C2C=CC=CC2=O
Structure:
CAS RN: 57272-52-3
CAS Name: 2-nitro-N-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzenesulfenamide
OPENEYE Name: (6E)-6-[[(2-nitrophenyl)sulfanylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[[(2-nitrophenyl)sulfanylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[(2-nitrophenyl)sulfanylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H10N2O3S
MOLECULAR WEIGHT: 274.2951
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SN/C=C/2\C=CC=CC2=O
Structure:
CAS RN: 29781-04-2
CAS Name: (Z)-2-methyl-2-butenoic acid nonyl ester
OPENEYE Name: nonyl (Z)-2-methylbut-2-enoate
IUPAC Name: nonyl (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: nonyl (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCCCCCCCCOC(=O)/C(=C\C)/C
Structure:
CAS RN: 83783-79-3
CAS Name: (Z)-2-methyl-2-butenoic acid nonyl ester
OPENEYE Name: nonyl (Z)-2-methylbut-2-enoate
IUPAC Name: nonyl (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: nonyl (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCCCCCCCCOC(=O)/C(=C\C)/C
Structure:
CAS RN: 60462-74-0
CAS Name: 1-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-methylbenzene
OPENEYE Name: 1-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-methyl-benzene
IUPAC Name: 1-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-methylbenzene
SYSTEMATIC NAME: 1-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-methyl-benzene
MOLECULAR FORMULA: C17H24O
MOLECULAR WEIGHT: 244.37186
SMILES: CC1=CC(=CC=C1)OC/C=C(/C)\CCC=C(C)C
Structure:
CAS RN: 57783-05-8
CAS Name: 1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
OPENEYE Name: 1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
IUPAC Name: 1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
SYSTEMATIC NAME: 1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: CC(=CCC/C(=C\COC1=CC=C(C=C1)C(C)(C)C)/C)C
Structure:
CAS RN: 23393-92-2
CAS Name: 2,2-dimethyl-3-[(Z)-3-methyl-5-phenoxypent-3-enyl]oxirane
OPENEYE Name: 2,2-dimethyl-3-[(Z)-3-methyl-5-phenoxy-pent-3-enyl]oxirane
IUPAC Name: 2,2-dimethyl-3-[(Z)-3-methyl-5-phenoxypent-3-enyl]oxirane
SYSTEMATIC NAME: 2,2-dimethyl-3-[(Z)-3-methyl-5-phenoxy-pent-3-enyl]oxirane
MOLECULAR FORMULA: C16H22O2
MOLECULAR WEIGHT: 246.34468
SMILES: C/C(=C/COC1=CC=CC=C1)/CCC2C(O2)(C)C
Structure:
CAS RN: 16491-56-8
CAS Name: (Z)-2-butenoic acid 2-methylpentyl ester
OPENEYE Name: 2-methylpentyl (Z)-but-2-enoate
IUPAC Name: 2-methylpentyl (Z)-but-2-enoate
SYSTEMATIC NAME: 2-methylpentyl (Z)-but-2-enoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCC(C)COC(=O)/C=C\C
Structure:
CAS RN: 50585-24-5
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydroxy-4,6-dihydro-[1,2,4]triazino[2,3-a]purin-10-one
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-hydroxy-4,6-dihydro-[1,2,4]triazino[2,3-a]purin-10-one
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-4,6-dihydro-[1,2,4]triazino[2,3-a]purin-10-one
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanyl-4,6-dihydro-[1,2,4]triazino[2,3-a]purin-10-one
MOLECULAR FORMULA: C12H14N6O6
MOLECULAR WEIGHT: 338.27616
SMILES: C1=NN2C(=O)C3=C(NC2=NC1O)N(C=N3)C4C(C(C(O4)CO)O)O
Structure:
CAS RN: 3980-86-7
CAS Name: 3-phenyl-9H-pyridazino[3,4-b]indole
OPENEYE Name: 3-phenyl-9H-pyridazino[3,4-b]indole
IUPAC Name: 3-phenyl-9H-pyridazino[3,4-b]indole
SYSTEMATIC NAME: 3-phenyl-9H-pyridazino[3,4-b]indole
MOLECULAR FORMULA: C16H11N3
MOLECULAR WEIGHT: 245.27864
SMILES: C1=CC=C(C=C1)C2=NN=C3C(=C2)C4=CC=CC=C4N3
Structure:
CAS RN: 30826-79-0
CAS Name: 1,3-bis[(E)-prop-1-enyl]-2-imidazolidinone
OPENEYE Name: 1,3-bis[(E)-prop-1-enyl]imidazolidin-2-one
IUPAC Name: 1,3-bis[(E)-prop-1-enyl]imidazolidin-2-one
SYSTEMATIC NAME: 1,3-bis[(E)-prop-1-enyl]imidazolidin-2-one
MOLECULAR FORMULA: C9H14N2O
MOLECULAR WEIGHT: 166.22026
SMILES: C/C=C/N1C(=O)N(CC1)/C=C/C
Structure:
CAS RN: 4121-22-6
CAS Name: 5H-pyrrolo[2,3-b]pyrazine-7-carboxaldehyde
OPENEYE Name: 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
IUPAC Name: 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SYSTEMATIC NAME: 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
MOLECULAR FORMULA: C7H5N3O
MOLECULAR WEIGHT: 147.1341
SMILES: C1=CN=C2C(=N1)C(=CN2)C=O
Structure:
CAS RN: 51984-40-8
CAS Name: 1-[(5-oxo-2-pyridinylidene)methylamino]-3-phenylthiourea
OPENEYE Name: 1-[(5-oxo-2-pyridylidene)methylamino]-3-phenyl-thiourea
IUPAC Name: 1-[(5-oxopyridin-2-ylidene)methylamino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[(5-oxidanylidenepyridin-2-ylidene)methylamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C13H12N4OS
MOLECULAR WEIGHT: 272.32558
SMILES: C1=CC=C(C=C1)NC(=S)NNC=C2C=CC(=O)C=N2
Structure:
CAS RN: 51984-45-3
CAS Name: [(6-methyl-3-pyridazinyl)methylideneamino]thiourea
OPENEYE Name: [(6-methylpyridazin-3-yl)methyleneamino]thiourea
IUPAC Name: [(6-methylpyridazin-3-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(6-methylpyridazin-3-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C7H9N5S
MOLECULAR WEIGHT: 195.24486
SMILES: CC1=NN=C(C=C1)C=NNC(=S)N
Structure:
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