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

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-4-quinolone Formula: C16H18N4OS MolecularWeight: 314.40532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC(=O)C3=C(N2)C(=C(C=C3)C)C

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC(=O)C3=C(N2)C(=C(C=C3)C)C

InChI

InChI=1S/C16H18N4OS/c1-4-14-18-16(20-19-14)22-8-11-7-13(21)12-6-5-9(2)10(3)15(12)17-11/h5-7H,4,8H2,1-3H3,(H,17,21)(H,18,19,20)