1-methyl-2-methylsulfanyl-4-(4-nitrophenyl)-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-methyl-2-methylsulfanyl-4-(4-nitrophenyl)-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-methyl-2-methylsulfanyl-4-(4-nitrophenyl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 1-methyl-2-(methylthio)-4-(4-nitrophenyl)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 1-methyl-2-methylsulfanyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 6-keto-1-methyl-2-(methylthio)-4-(4-nitrophenyl)pyrimidine-5-carbonitrile Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SC)C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1SC)C2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H10N4O3S/c1-16-12(18)10(7-14)11(15-13(16)21-2)8-3-5-9(6-4-8)17(19)20/h3-6H,1-2H3