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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C14H11N5O4S MolecularWeight: 345.33324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H11N5O4S/c1-8-4-12(20)18-14(16-8)24-7-13(21)17-11-3-2-10(19(22)23)5-9(11)6-15/h2-5H,7H2,1H3,(H,17,21)(H,16,18,20)