4-[(3-ethanoylphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(3-ethanoylphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(3-acetylphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3-acetylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[(3-acetylphenyl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxamide Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C15H17N5O2S/c1-3-20-8-12(13(19-20)14(16)22)18-15(23)17-11-6-4-5-10(7-11)9(2)21/h4-8H,3H2,1-2H3,(H2,16,22)(H2,17,18,23)