4-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H15N3OS/c17-9-11-5-7-12(8-6-11)10-21-16-18-14-4-2-1-3-13(14)15(20)19-16/h5-8H,1-4,10H2,(H,18,19,20)