6-ethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H12N4O4S/c1-2-12-11(7-16)14(21)18-15(17-12)24-8-13(20)9-3-5-10(6-4-9)19(22)23/h3-6H,2,8H2,1H3,(H,17,18,21)