7,8-dimethyl-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 7,8-dimethyl-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 7,8-dimethyl-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 7,8-dimethyl-2-[[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 7,8-dimethyl-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 7,8-dimethyl-2-[[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSC3=NNC(=N3)C4=CC(=CC=C4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSC3=NNC(=N3)C4=CC(=CC=C4)C)C

InChI

InChI=1S/C21H20N4OS/c1-12-5-4-6-15(9-12)20-23-21(25-24-20)27-11-16-10-18(26)17-8-7-13(2)14(3)19(17)22-16/h4-10H,11H2,1-3H3,(H,22,26)(H,23,24,25)