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

Systemtic Name: 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-methyl-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-methyl-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-quinolone Formula: C20H18N4OS MolecularWeight: 362.44812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-13-8-9-17-16(10-13)18(25)11-15(21-17)12-26-20-23-22-19(24(20)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,25)