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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C17H12ClN3OS MolecularWeight: 341.81468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3OS/c18-13-7-5-12(6-8-13)11-21-16(22)14-3-1-2-4-15(14)20-17(21)23-10-9-19/h1-8H,10-11H2