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

Systemtic Name: 7,8-dimethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 7,8-dimethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one CAS Name: 7,8-dimethyl-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinolin-4-one IUPAC Name: 7,8-dimethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 7,8-dimethyl-2-[[(4-methyl-5-phenyl-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=NN=C(N3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSC3=NN=C(N3C)C4=CC=CC=C4)C

InChI

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