N-(2,3-dimethylcyclohexyl)-2-[[4-(4-ethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[[4-(4-ethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[[4-(4-ethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[4-(4-ethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[[4-(4-ethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[4-(4-ethylphenyl)-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)NC5CCCC(C5C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)NC5CCCC(C5C)C

InChI

InChI=1S/C27H31N5O2S/c1-4-19-12-14-20(15-13-19)31-25(34)21-9-5-6-11-23(21)32-26(31)29-30-27(32)35-16-24(33)28-22-10-7-8-17(2)18(22)3/h5-6,9,11-15,17-18,22H,4,7-8,10,16H2,1-3H3,(H,28,33)