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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-pyridylmethyl)acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C17H17N5OS/c1-12-2-4-14(5-3-12)16-20-21-17(24)22(16)11-15(23)19-10-13-6-8-18-9-7-13/h2-9H,10-11H2,1H3,(H,19,23)(H,21,24)