N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-methyl-acetamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)N(C)CCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)N(C)CCC#N)C

InChI

InChI=1S/C23H22N6O2S/c1-15-9-10-18(16(2)13-15)28-21(31)17-7-4-5-8-19(17)29-22(28)25-26-23(29)32-14-20(30)27(3)12-6-11-24/h4-5,7-10,13H,6,12,14H2,1-3H3