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

Systemtic Name: N-[(E)-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide Openeye Name: N-[(E)-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methyleneamino]thiophene-2-carboxamide CAS Name: N-[(E)-[3-methyl-1-(4-nitrophenyl)-4-pyrazolyl]methylideneamino]-2-thiophenecarboxamide IUPAC Name: N-[(E)-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide Traditional Name: N-[(E)-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methyleneamino]thiophene-2-carboxamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=NNC(=O)C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1/C=N/NC(=O)C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c1-11-12(9-17-18-16(22)15-3-2-8-25-15)10-20(19-11)13-4-6-14(7-5-13)21(23)24/h2-10H,1H3,(H,18,22)/b17-9+