[4-(3-methylbutyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-(2-phenylquinolin-4-yl)methanone

Systemtic Name: [4-(3-methylbutyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: (4-isopentyl-5-thioxo-1H-1,2,4-triazol-3-yl)-(2-phenyl-4-quinolyl)methanone CAS Name: [4-(3-methylbutyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(3-methylbutyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-(2-phenylquinolin-4-yl)methanone Traditional Name: (4-isoamyl-5-thioxo-1H-1,2,4-triazol-3-yl)-(2-phenyl-4-quinolyl)methanone Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NNC1=S)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NNC1=S)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-15(2)12-13-27-22(25-26-23(27)29)21(28)18-14-20(16-8-4-3-5-9-16)24-19-11-7-6-10-17(18)19/h3-11,14-15H,12-13H2,1-2H3,(H,26,29)