2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]phenyl]benzonitrile Formula: C22H15N3OS MolecularWeight: 369.439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

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