2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-benzyl-7-chloro-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=C(C=C(C=C3)Cl)N=C2SCC#N

Isomeric SMILES

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

InChI

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