2-[4-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]phenyl]benzonitrile Formula: C25H19N3OS MolecularWeight: 409.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H19N3OS/c26-15-19-5-1-2-6-21(19)18-11-9-17(10-12-18)16-30-25-27-23-8-4-3-7-22(23)24(29)28(25)20-13-14-20/h1-12,20H,13-14,16H2