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

Systemtic Name: (2R)-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: (2R)-2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: (2R)-2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-2-[[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:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O3S/c1-11(10-18)25-17-19-15-5-3-2-4-14(15)16(22)20(17)12-6-8-13(9-7-12)21(23)24/h2-9,11H,1H3/t11-/m1/s1