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

Systemtic Name: 5,8-dimethyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 5,8-dimethyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 5,8-dimethyl-2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 5,8-dimethyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 5,8-dimethyl-2-[[[5-(p-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=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)C4=C(C=CC(=C4N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)C4=C(C=CC(=C4N3)C)C

InChI

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