N-(3-methylphenyl)-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-methylphenyl)-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-benzyl-N-(m-tolyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-benzyl-N-(3-methylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-N-(m-tolyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C23H21N5OS/c1-17-6-5-9-20(14-17)28(15-18-7-3-2-4-8-18)21(29)16-30-23-25-22(26-27-23)19-10-12-24-13-11-19/h2-14H,15-16H2,1H3,(H,25,26,27)