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

Systemtic Name: N-isoquinolin-5-yl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(5-isoquinolyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(5-isoquinolinyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-isoquinolin-5-yl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(5-isoquinolyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H19N5OS/c1-14-4-2-5-15(12-14)20-24-25-21(28)26(20)11-9-19(27)23-18-7-3-6-16-13-22-10-8-17(16)18/h2-8,10,12-13H,9,11H2,1H3,(H,23,27)(H,25,28)