N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CSC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CSC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3S/c26-21(16-11-19(25(27)28)29-14-16)22-12-17-13-24(18-9-5-2-6-10-18)23-20(17)15-7-3-1-4-8-15/h1-11,13-14H,12H2,(H,22,26)