6-methyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 6-methyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-methyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-methyl-2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-methyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-methyl-2-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)C4=C(N3)C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)C4=C(N3)C=CC(=C4)C

InChI

InChI=1S/C20H18N4OS/c1-12-3-6-14(7-4-12)19-22-20(24-23-19)26-11-15-10-18(25)16-9-13(2)5-8-17(16)21-15/h3-10H,11H2,1-2H3,(H,21,25)(H,22,23,24)