5-tert-butyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[(E)-(5-nitro-2-thienyl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-tert-butyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[(E)-(5-nitro-2-thienyl)methyleneamino]-1H-pyrazole-3-carboxamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-13(2,3)10-6-9(15-16-10)12(19)17-14-7-8-4-5-11(22-8)18(20)21/h4-7H,1-3H3,(H,15,16)(H,17,19)/b14-7+