N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=NN(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=NN(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4S/c1-3-23-9-4-5-10(12(8-9)19(21)22)15-14(24)16-13(20)11-6-7-18(2)17-11/h4-8H,3H2,1-2H3,(H2,15,16,20,24)