N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-thiophen-2-yl-ethanamide Openeye Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-(2-thienyl)acetamide CAS Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-thiophen-2-ylacetamide IUPAC Name: N-[(E)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-thiophen-2-ylacetamide Traditional Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-(2-thienyl)acetamide Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=NNC(=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])/C=N/NC(=O)CC4=CC=CS4

InChI

InChI=1S/C22H17N5O3S/c28-21(13-20-7-4-12-31-20)24-23-14-17-15-26(18-5-2-1-3-6-18)25-22(17)16-8-10-19(11-9-16)27(29)30/h1-12,14-15H,13H2,(H,24,28)/b23-14+