3-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]propionitrile Formula: C18H14ClN3OS MolecularWeight: 355.84126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC#N

InChI

InChI=1S/C18H14ClN3OS/c1-12-5-2-3-6-16(12)22-17(23)14-8-7-13(19)11-15(14)21-18(22)24-10-4-9-20/h2-3,5-8,11H,4,10H2,1H3