4-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1H-quinolin-2-one

Systemtic Name: 4-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1H-quinolin-2-one Openeye Name: 4-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1H-quinolin-2-one CAS Name: 4-[[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]methyl]-1H-quinolin-2-one IUPAC Name: 4-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]methyl]carbostyril Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC4=CC(=O)NC5=CC=CC=C54)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC4=CC(=O)NC5=CC=CC=C54)C)C

InChI

InChI=1S/C23H20N4OS/c1-13-8-14(2)21-16(9-13)10-15(3)22-25-26-23(27(21)22)29-12-17-11-20(28)24-19-7-5-4-6-18(17)19/h4-11H,12H2,1-3H3,(H,24,28)