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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N4OS/c1-14-5-4-8-16(11-14)19-21-22-20(26)24(19)13-18(25)23-10-9-15-6-2-3-7-17(15)12-23/h2-8,11H,9-10,12-13H2,1H3,(H,22,26)