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

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide CAS Name: N-[[4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-pyridinecarboxamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Traditional Name: N-[[5-(benzylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]picolinamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4=CC=CC=N4

InChI

InChI=1S/C23H21N5O2S/c1-30-19-12-10-18(11-13-19)28-21(15-25-22(29)20-9-5-6-14-24-20)26-27-23(28)31-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,29)