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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[[4-(2-methylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[4-(o-tolyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-(2-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[[4-(2-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[5-keto-4-(o-tolyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]acetamide Formula: C26H23N5O2S MolecularWeight: 469.55812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C

InChI

InChI=1S/C26H23N5O2S/c1-16-12-13-17(2)20(14-16)27-23(32)15-34-26-29-28-25-30(21-10-6-4-8-18(21)3)24(33)19-9-5-7-11-22(19)31(25)26/h4-14H,15H2,1-3H3,(H,27,32)