2-[[4-(4-butan-2-ylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[4-(4-butan-2-ylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-oxo-4-(4-sec-butylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-butan-2-ylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[4-(4-butan-2-ylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-keto-4-(4-sec-butylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]acetamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c1-3-19(2)21-13-15-22(16-14-21)32-26(35)23-11-7-8-12-24(23)33-27(32)30-31-28(33)36-18-25(34)29-17-20-9-5-4-6-10-20/h4-16,19H,3,17-18H2,1-2H3,(H,29,34)