2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C16H10ClN3OS MolecularWeight: 327.7881

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3OS/c17-11-5-7-12(8-6-11)20-15(21)13-3-1-2-4-14(13)19-16(20)22-10-9-18/h1-8H,10H2