2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile Formula: C17H10N4O4S2 MolecularWeight: 398.4157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CS3)C#N

InChI

InChI=1S/C17H10N4O4S2/c18-8-12-15(14-5-2-6-26-14)19-17(20-16(12)23)27-9-13(22)10-3-1-4-11(7-10)21(24)25/h1-7H,9H2,(H,19,20,23)