4-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-(2-benzylsulfanyl-4-oxo-quinazolin-3-yl)benzonitrile CAS Name: 4-[4-oxo-2-(phenylmethylthio)-3-quinazolinyl]benzonitrile IUPAC Name: 4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)benzonitrile Traditional Name: 4-[2-(benzylthio)-4-keto-quinazolin-3-yl]benzonitrile Formula: C22H15N3OS MolecularWeight: 369.439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H15N3OS/c23-14-16-10-12-18(13-11-16)25-21(26)19-8-4-5-9-20(19)24-22(25)27-15-17-6-2-1-3-7-17/h1-13H,15H2