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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-5-(phenylmethylsulfanyl)pentanamide Openeye Name: 5-benzylsulfanyl-N-[(2-methoxyphenyl)methyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-5-(phenylmethylthio)pentanamide IUPAC Name: 5-benzylsulfanyl-N-[(2-methoxyphenyl)methyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide Traditional Name: 5-(benzylthio)-N-o-anisyl-4-(4-phenethyl-1,2,4-triazol-3-yl)valeramide Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCC(CSCC2=CC=CC=C2)C3=NN=CN3CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCC(CSCC2=CC=CC=C2)C3=NN=CN3CCC4=CC=CC=C4

InChI

InChI=1S/C30H34N4O2S/c1-36-28-15-9-8-14-26(28)20-31-29(35)17-16-27(22-37-21-25-12-6-3-7-13-25)30-33-32-23-34(30)19-18-24-10-4-2-5-11-24/h2-15,23,27H,16-22H2,1H3,(H,31,35)