1-[(4-nitrophenyl)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-2-thienylmethyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-nitrobenzyl)-N-[(E)-2-thenylideneamino]pyrazole-3-carboxamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=NNC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)/C=N/NC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-16(18-17-10-14-2-1-9-25-14)15-7-8-20(19-15)11-12-3-5-13(6-4-12)21(23)24/h1-10H,11H2,(H,18,22)/b17-10+