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

Systemtic Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide Openeye Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiophene-2-carboxamide CAS Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-thiophenecarboxamide IUPAC Name: N-[(E)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide Traditional Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiophene-2-carboxamide Formula: C21H15N5O3S MolecularWeight: 417.4405

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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)C4=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)C4=CC=CS4

InChI

InChI=1S/C21H15N5O3S/c27-21(19-7-4-12-30-19)23-22-13-16-14-25(17-5-2-1-3-6-17)24-20(16)15-8-10-18(11-9-15)26(28)29/h1-14H,(H,23,27)/b22-13+