2-methylsulfanyl-N-[(E)-(2-nitrophenyl)methylideneamino]-4-oxidanylidene-1H-pyrimidine-6-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[(E)-(2-nitrophenyl)methylideneamino]-4-oxidanylidene-1H-pyrimidine-6-carboxamide Openeye Name: 2-methylsulfanyl-N-[(E)-(2-nitrophenyl)methyleneamino]-4-oxo-1H-pyrimidine-6-carboxamide CAS Name: 2-(methylthio)-N-[(E)-(2-nitrophenyl)methylideneamino]-4-oxo-1H-pyrimidine-6-carboxamide IUPAC Name: 2-methylsulfanyl-N-[(E)-(2-nitrophenyl)methylideneamino]-4-oxo-1H-pyrimidine-6-carboxamide Traditional Name: 4-keto-2-(methylthio)-N-[(E)-(2-nitrobenzylidene)amino]-1H-pyrimidine-6-carboxamide Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=O)C=C(N1)C(=O)N/N=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O4S/c1-23-13-15-9(6-11(19)16-13)12(20)17-14-7-8-4-2-3-5-10(8)18(21)22/h2-7H,1H3,(H,17,20)(H,15,16,19)/b14-7+