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

Systemtic Name: 3-nitro-N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]benzenesulfonamide Openeye Name: 3-nitro-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]benzenesulfonamide CAS Name: 3-nitro-N-[(E)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]benzenesulfonamide IUPAC Name: 3-nitro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzenesulfonamide Traditional Name: 3-nitro-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]benzenesulfonamide Formula: C20H15N5O4S2 MolecularWeight: 453.4942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=N/NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4S2/c26-25(27)17-8-4-9-18(12-17)31(28,29)23-21-13-15-14-24(16-6-2-1-3-7-16)22-20(15)19-10-5-11-30-19/h1-14,23H/b21-13+