4-(4-methylsulfonyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile Openeye Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile CAS Name: 4-(4-methylsulfonyl-2-nitrophenyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-(4-methylsulfonyl-2-nitrophenyl)-1,2,4-triazole-3-carbonitrile Traditional Name: 4-(4-mesyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile Formula: C10H7N5O4S MolecularWeight: 293.25868

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2C=NN=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C=NN=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C10H7N5O4S/c1-20(18,19)7-2-3-8(9(4-7)15(16)17)14-6-12-13-10(14)5-11/h2-4,6H,1H3