2-[(5,5-dimethyl-4-oxidanylidene-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(5,5-dimethyl-4-oxidanylidene-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(3-allyl-5,5-dimethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)thio]acetonitrile IUPAC Name: 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(3-allyl-4-keto-5,5-dimethyl-6H-benzo[h]quinazolin-2-yl)thio]acetonitrile Formula: C19H19N3OS MolecularWeight: 337.43866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC#N)CC=C)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC#N)CC=C)C

InChI

InChI=1S/C19H19N3OS/c1-4-10-22-17(23)15-16(21-18(22)24-11-9-20)14-8-6-5-7-13(14)12-19(15,2)3/h4-8H,1,10-12H2,2-3H3