2-[[4-(2,6-dimethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(2,6-dimethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]acetonitrile IUPAC Name: 2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2,6-dimethylphenyl)-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]acetonitrile Formula: C19H15N5OS MolecularWeight: 361.4203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC#N

InChI

InChI=1S/C19H15N5OS/c1-12-6-5-7-13(2)16(12)24-17(25)14-8-3-4-9-15(14)23-18(24)21-22-19(23)26-11-10-20/h3-9H,11H2,1-2H3