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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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