2-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]ethanenitrile Openeye Name: 2-(2-benzylsulfanyl-4-oxo-quinazolin-3-yl)acetonitrile CAS Name: 2-[4-oxo-2-(phenylmethylthio)-3-quinazolinyl]acetonitrile IUPAC Name: 2-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)acetonitrile Traditional Name: 2-[2-(benzylthio)-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C17H13N3OS/c18-10-11-20-16(21)14-8-4-5-9-15(14)19-17(20)22-12-13-6-2-1-3-7-13/h1-9H,11-12H2