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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-4-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C21H19BrN6O3S MolecularWeight: 515.38296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrN6O3S/c1-13-20(28(30)31)14(2)27(25-13)10-16-7-19(32-12-16)21(29)24-18-8-23-26(11-18)9-15-3-5-17(22)6-4-15/h3-8,11-12H,9-10H2,1-2H3,(H,24,29)