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

Systemtic Name: N-cyclohexyl-2-[[4-(4-ethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-cyclohexyl-2-[[4-(4-ethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-cyclohexyl-2-[[4-(4-ethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-methylacetamide IUPAC Name: N-cyclohexyl-2-[[4-(4-ethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methylacetamide Traditional Name: N-cyclohexyl-2-[[4-(4-ethylphenyl)-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-methyl-acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)N(C)C5CCCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)N(C)C5CCCCC5

InChI

InChI=1S/C26H29N5O2S/c1-3-18-13-15-20(16-14-18)30-24(33)21-11-7-8-12-22(21)31-25(30)27-28-26(31)34-17-23(32)29(2)19-9-5-4-6-10-19/h7-8,11-16,19H,3-6,9-10,17H2,1-2H3