4-[[4-(3-methylbutyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(3-methylbutyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(4-isopentyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4-isoamyl-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]methyl]-N-phenyl-benzamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c1-19(2)16-17-32-26(35)23-10-6-7-11-24(23)33-27(32)30-31-28(33)36-18-20-12-14-21(15-13-20)25(34)29-22-8-4-3-5-9-22/h3-15,19H,16-18H2,1-2H3,(H,29,34)