N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C22H19ClN6O3S MolecularWeight: 482.94266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN6O3S/c1-14-21(29(31)32)15(2)28(25-14)13-27-12-11-19(26-27)22(30)24-18-5-3-4-6-20(18)33-17-9-7-16(23)8-10-17/h3-12H,13H2,1-2H3,(H,24,30)