N-(2-cyano-4-nitro-phenyl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C13H9N5O4S MolecularWeight: 331.30666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CSC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C13H9N5O4S/c14-6-8-5-9(18(21)22)1-2-10(8)16-12(20)7-23-13-15-4-3-11(19)17-13/h1-5H,7H2,(H,16,20)(H,15,17,19)