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

Systemtic Name: 2-[2-[(4-fluorophenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-fluorophenyl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4-fluorophenyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-fluorophenyl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4-fluorophenyl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H12FN3OS MolecularWeight: 325.360083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC=C(C=C3)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC=C(C=C3)F)CC#N

InChI

InChI=1S/C17H12FN3OS/c18-12-5-7-13(8-6-12)23-11-16-20-15-4-2-1-3-14(15)17(22)21(16)10-9-19/h1-8H,10-11H2