4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(o-tolylmethyl)pyrazol-3-yl]thiophene-2-carboxamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(2-methylbenzyl)pyrazol-3-yl]thiophene-2-carboxamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=CC(=CS3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=CC(=CS3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N6O3S/c1-14-6-4-5-7-18(14)12-26-9-8-20(25-26)23-22(29)19-10-17(13-32-19)11-27-16(3)21(28(30)31)15(2)24-27/h4-10,13H,11-12H2,1-3H3,(H,23,25,29)