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

Systemtic Name: N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C20H17BrN6O3S MolecularWeight: 501.35638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CSC(=C2)C(=O)NC3=CC=C(C=C3)CN4C=C(C=N4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CSC(=C2)C(=O)NC3=CC=C(C=C3)CN4C=C(C=N4)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN6O3S/c1-13-6-19(27(29)30)24-26(13)10-15-7-18(31-12-15)20(28)23-17-4-2-14(3-5-17)9-25-11-16(21)8-22-25/h2-8,11-12H,9-10H2,1H3,(H,23,28)