3-azanyl-5-[3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(4-methylsulfonyl-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(4-methylsulfonyl-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(4-methylsulfonyl-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(4-mesyl-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4S/c1-25(23,24)9-4-5-12(13(7-9)20(21)22)17-6-2-3-11-10(8-15)14(16)19-18-11/h4-5,7,17H,2-3,6H2,1H3,(H3,16,18,19)