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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

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