2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3-phenethyl-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenethyl-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-phenethyl-quinazolin-2-yl)thio]acetonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C18H15N3OS/c19-11-13-23-18-20-16-9-5-4-8-15(16)17(22)21(18)12-10-14-6-2-1-3-7-14/h1-9H,10,12-13H2