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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 5-benzylsulfanyl-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-phenyl-5-(phenylmethylthio)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 5-benzylsulfanyl-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 5-(benzylthio)-N-o-anisyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C28H30N4O2S MolecularWeight: 486.6284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O2S/c1-34-26-15-9-8-14-24(26)18-32(28-29-21-30-31-28)27(33)17-16-25(23-12-6-3-7-13-23)20-35-19-22-10-4-2-5-11-22/h2-15,21,25H,16-20H2,1H3,(H,29,30,31)