3-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]propionitrile Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCC#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCC#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O3S/c18-10-3-11-25-17-19-15-5-2-1-4-14(15)16(22)20(17)12-6-8-13(9-7-12)21(23)24/h1-2,4-9H,3,11H2