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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-1H-quinolin-4-one Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-1H-quinolin-4-one CAS Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-1H-quinolin-4-one IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-1H-quinolin-4-one Traditional Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-4-quinolone Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C

InChI

InChI=1S/C15H16N4OS/c1-9-4-5-13-12(6-9)14(20)7-11(16-13)8-21-15-18-17-10(2)19(15)3/h4-7H,8H2,1-3H3,(H,16,20)