2-[(4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-1-phenylethanone IUPAC Name: 2-[(4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-1-phenyl-ethanone Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N3C(=NN=C3SCC(=O)C4=CC=CC=C4)C(=C2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N3C(=NN=C3SCC(=O)C4=CC=CC=C4)C(=C2)C

InChI

InChI=1S/C20H17N3OS/c1-13-8-9-17-16(10-13)11-14(2)19-21-22-20(23(17)19)25-12-18(24)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3