2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile

Systemtic Name: 2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile Openeye Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile CAS Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-[4-(methylthio)phenyl]-2-propenenitrile IUPAC Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile Traditional Name: 2-(4-keto-6-methyl-1H-quinazolin-2-yl)-3-[4-(methylthio)phenyl]acrylonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)C(=CC3=CC=C(C=C3)SC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)C(=CC3=CC=C(C=C3)SC)C#N

InChI

InChI=1S/C19H15N3OS/c1-12-3-8-17-16(9-12)19(23)22-18(21-17)14(11-20)10-13-4-6-15(24-2)7-5-13/h3-10H,1-2H3,(H,21,22,23)