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

Systemtic Name: N-isoquinolin-5-yl-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(5-isoquinolyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(5-isoquinolinyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-isoquinolin-5-yl-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(5-isoquinolyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H17N5OS/c1-13-5-7-14(8-6-13)19-23-24-20(27)25(19)12-18(26)22-17-4-2-3-15-11-21-10-9-16(15)17/h2-11H,12H2,1H3,(H,22,26)(H,24,27)