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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=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)11-26-12-19(9-23-26)24-22(29)20-8-17(13-32-20)10-27-16(3)21(28(30)31)15(2)25-27/h4-9,12-13H,10-11H2,1-3H3,(H,24,29)