4-azanyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(methylthio)-6-(3-nitrophenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(methylthio)-6-(3-nitrophenyl)pyrimidine-5-carbonitrile Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5O2S/c1-20-12-15-10(9(6-13)11(14)16-12)7-3-2-4-8(5-7)17(18)19/h2-5H,1H3,(H2,14,15,16)