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

Systemtic Name: 4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide Openeye Name: 4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-[1-(o-tolylmethyl)pyrazol-4-yl]thiophene-2-carboxamide CAS Name: 4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3S/c1-14-5-3-4-6-17(14)11-25-12-18(9-22-25)23-21(28)19-8-16(13-31-19)10-26-15(2)7-20(24-26)27(29)30/h3-9,12-13H,10-11H2,1-2H3,(H,23,28)