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

Systemtic Name: 4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]benzonitrile Formula: C17H10N4OS MolecularWeight: 318.3525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H10N4OS/c18-9-10-23-17-20-15-4-2-1-3-14(15)16(22)21(17)13-7-5-12(11-19)6-8-13/h1-8H,10H2