2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one

Systemtic Name: 2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6,8-dimethyl-4-quinolone Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=NN=C(N3C)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=NN=C(N3C)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H19FN4OS/c1-12-7-13(2)19-17(8-12)18(27)10-16(23-19)11-28-21-25-24-20(26(21)3)14-5-4-6-15(22)9-14/h4-10H,11H2,1-3H3,(H,23,27)