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

Systemtic Name: 5-nitro-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiophene-3-carboxamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide CAS Name: 5-nitro-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-thiophenecarboxamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CSC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S/c27-22(18-11-20(26(28)29)30-15-18)23-12-19-14-25(13-16-7-3-1-4-8-16)24-21(19)17-9-5-2-6-10-17/h1-11,14-15H,12-13H2,(H,23,27)