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

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-2-pyridinecarboxamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]picolinamide Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC=CC=N4

InChI

InChI=1S/C24H23N5O2S/c1-31-20-11-7-10-19(16-20)29-22(17-26-23(30)21-12-5-6-14-25-21)27-28-24(29)32-15-13-18-8-3-2-4-9-18/h2-12,14,16H,13,15,17H2,1H3,(H,26,30)