2-[(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C19H16ClN3OS MolecularWeight: 369.86784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H16ClN3OS/c1-12(2)23-18(24)16-8-7-15(20)9-17(16)22-19(23)25-11-14-6-4-3-5-13(14)10-21/h3-9,12H,11H2,1-2H3