CAS RN: 4844-52-4
CAS Name: 2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2H-pyrrol-5-one
OPENEYE Name: 2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
IUPAC Name: 2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SYSTEMATIC NAME: 2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2H-pyrrol-5-one
MOLECULAR FORMULA: C27H36N2O4
MOLECULAR WEIGHT: 452.58574
SMILES: CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=C(O2)C)C3=CC=C(C=C3)C(C)(C)C
Structure:
CAS RN: 21732-01-4
CAS Name: 1-phenyl-3-(1H-1,2,4-triazol-5-yl)thiourea
OPENEYE Name: 1-phenyl-3-(1H-1,2,4-triazol-5-yl)thiourea
IUPAC Name: 1-phenyl-3-(1H-1,2,4-triazol-5-yl)thiourea
SYSTEMATIC NAME: 1-phenyl-3-(1H-1,2,4-triazol-5-yl)thiourea
MOLECULAR FORMULA: C9H9N5S
MOLECULAR WEIGHT: 219.26626
SMILES: C1=CC=C(C=C1)NC(=S)NC2=NC=NN2
Structure:
CAS RN: 5550-62-9
CAS Name: N-(2-methylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide
OPENEYE Name: N-(o-tolyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
IUPAC Name: N-(2-methylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-methylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C17H16N4OS
MOLECULAR WEIGHT: 324.40014
SMILES: CC1=CC=CC=C1NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3
Structure:
CAS RN: 5550-01-6
CAS Name: 1-(4-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-(4-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
IUPAC Name: 1-(4-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C20H19ClFN3O4S
MOLECULAR WEIGHT: 451.898963
SMILES: C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4F
Structure:
CAS RN: 4714-65-2
CAS Name: 3-chlorobenzoic acid (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) ester
OPENEYE Name: (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate
IUPAC Name: (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate
SYSTEMATIC NAME: [7,7-bis(oxidanylidene)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl] 3-chloranylbenzoate
MOLECULAR FORMULA: C14H11ClO4S2
MOLECULAR WEIGHT: 342.81774
SMILES: C1CS(=O)(=O)C2=C(C1OC(=O)C3=CC(=CC=C3)Cl)C=CS2
Structure:
CAS RN: 4893-75-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N4O2S
MOLECULAR WEIGHT: 370.46858
SMILES: CC1(CC2=C3C4=C(C(=NC=N4)OC)SC3=NC(=C2CO1)N5CCCC5)C
Structure:
CAS RN: 5211-22-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C53H61ClFN3O11
MOLECULAR WEIGHT: 970.516343
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)OC4(C(CC(=NOCC5=CC=CC=C5)C6=CC(C(C3C64)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)OCCCl)OCC=C)OC
Structure:
CAS RN: 5211-16-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H58FN3O9
MOLECULAR WEIGHT: 827.976523
SMILES: CCNC(=O)OC1=CC2=C(C=C1)OC3(C(CC(=NOCC4=CC=CC=C4)C5=CC(C(C2C53)CCCCO)CCCCO)N(CC6=CC=C(C=C6)F)C(=O)OCC)OCC=C
Structure:
CAS RN: 6691-11-8
CAS Name: 2-aminobutanedioic acid O4-tert-butyl ester O1-methyl ester
OPENEYE Name: O4-tert-butyl O1-methyl 2-aminobutanedioate
IUPAC Name: 4-O-tert-butyl 1-O-methyl 2-aminobutanedioate
SYSTEMATIC NAME: O4-tert-butyl O1-methyl 2-azanylbutanedioate
MOLECULAR FORMULA: C9H17NO4
MOLECULAR WEIGHT: 203.23558
SMILES: CC(C)(C)OC(=O)CC(C(=O)OC)N
Structure:
CAS RN: 6938-35-8
CAS Name: 3,5-dinitrobenzoic acid [(2,6-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
OPENEYE Name: [(2,6-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate
IUPAC Name: [(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate
SYSTEMATIC NAME: [(2,6-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate
MOLECULAR FORMULA: C15H11N3O7
MOLECULAR WEIGHT: 345.26374
SMILES: CC1=CC(=O)C=C(C1=NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C
Structure:
CAS RN: 7006-86-2
CAS Name: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
OPENEYE Name: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
IUPAC Name: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
SYSTEMATIC NAME: 4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
MOLECULAR FORMULA: C17H15N7O5
MOLECULAR WEIGHT: 397.3449
SMILES: CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NN3C=NN=C3)[N+](=O)[O-])C
Structure:
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