1-ethyl-4-[(2-methoxyphenyl)carbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-4-[(2-methoxyphenyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[(2-methoxyphenyl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-[(2-methoxyphenyl)carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[(2-methoxyphenyl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2OC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2OC

InChI

InChI=1S/C14H17N5O2S/c1-3-19-8-10(12(18-19)13(15)20)17-14(22)16-9-6-4-5-7-11(9)21-2/h4-8H,3H2,1-2H3,(H2,15,20)(H2,16,17,22)