N-[2-[(4-nitrophenyl)amino]ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(4-nitroanilino)ethyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[2-(4-nitroanilino)ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-nitroanilino)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(4-nitroanilino)ethyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S/c29-23(25-13-12-24-18-8-10-19(11-9-18)28(30)31)20-16-27(15-17-5-2-1-3-6-17)26-22(20)21-7-4-14-32-21/h1-11,14,16,24H,12-13,15H2,(H,25,29)