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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(2-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=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N)Cl

InChI

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