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

Systemtic Name: 3-azanyl-5-[5-[(4-methylsulfonyl-2-nitro-phenyl)amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-(4-methylsulfonyl-2-nitro-anilino)pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-(4-methylsulfonyl-2-nitroanilino)pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-(4-methylsulfonyl-2-nitroanilino)pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-(4-mesyl-2-nitro-anilino)pentyl]-1H-pyrazole-4-carbonitrile Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S/c1-27(25,26)11-6-7-14(15(9-11)22(23)24)19-8-4-2-3-5-13-12(10-17)16(18)21-20-13/h6-7,9,19H,2-5,8H2,1H3,(H3,18,20,21)