4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(phenylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(phenylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 5-benzylsulfanyl-4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(phenylmethylthio)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 5-benzylsulfanyl-4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 5-(benzylthio)-4-(3-chlorophenyl)-N-o-anisyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C28H29ClN4O2S MolecularWeight: 521.07346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(C2=NC=NN2)C(=O)CCC(CSCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1CN(C2=NC=NN2)C(=O)CCC(CSCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H29ClN4O2S/c1-35-26-13-6-5-10-23(26)17-33(28-30-20-31-32-28)27(34)15-14-24(22-11-7-12-25(29)16-22)19-36-18-21-8-3-2-4-9-21/h2-13,16,20,24H,14-15,17-19H2,1H3,(H,30,31,32)