(2R)-4-(4-chlorophenyl)sulfanyl-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)butanenitrile

Systemtic Name: (2R)-4-(4-chlorophenyl)sulfanyl-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)butanenitrile Openeye Name: (2R)-4-(4-chlorophenyl)sulfanyl-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)butanenitrile CAS Name: (2R)-4-[(4-chlorophenyl)thio]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)butanenitrile IUPAC Name: (2R)-4-(4-chlorophenyl)sulfanyl-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)butanenitrile Traditional Name: (2R)-4-[(4-chlorophenyl)thio]-3-keto-2-(4-keto-1H-quinazolin-2-yl)butyronitrile Formula: C18H12ClN3O2S MolecularWeight: 369.82478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(C#N)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)[C@@H](C#N)C(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H12ClN3O2S/c19-11-5-7-12(8-6-11)25-10-16(23)14(9-20)17-21-15-4-2-1-3-13(15)18(24)22-17/h1-8,14H,10H2,(H,21,22,24)/t14-/m0/s1