1-ethyl-4-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-4-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]-N-phenyl-pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-N-phenyl-pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-N-phenylpyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[(1-methylpyrazole-3-carbonyl)thiocarbamoylamino]-N-phenyl-pyrazole-3-carboxamide Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=S)NC(=O)C3=NN(C=C3)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=S)NC(=O)C3=NN(C=C3)C

InChI

InChI=1S/C18H19N7O2S/c1-3-25-11-14(15(23-25)17(27)19-12-7-5-4-6-8-12)20-18(28)21-16(26)13-9-10-24(2)22-13/h4-11H,3H2,1-2H3,(H,19,27)(H2,20,21,26,28)