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

Systemtic Name: 2-[4-oxidanylidene-2-(quinazolin-4-ylsulfanylmethyl)quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-(quinazolin-4-ylsulfanylmethyl)quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[(4-quinazolinylthio)methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-(quinazolin-4-ylsulfanylmethyl)quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[(quinazolin-4-ylthio)methyl]quinazolin-3-yl]acetonitrile Formula: C19H13N5OS MolecularWeight: 359.40442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C19H13N5OS/c20-9-10-24-17(23-16-8-4-2-6-14(16)19(24)25)11-26-18-13-5-1-3-7-15(13)21-12-22-18/h1-8,12H,10-11H2