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

Systemtic Name: 4-[(2-ethoxyphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(2-ethoxyphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(2-ethoxyphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide Traditional Name: 1-ethyl-4-(o-phenetylthiocarbamoylamino)pyrazole-3-carboxamide Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2OCC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2OCC

InChI

InChI=1S/C15H19N5O2S/c1-3-20-9-11(13(19-20)14(16)21)18-15(23)17-10-7-5-6-8-12(10)22-4-2/h5-9H,3-4H2,1-2H3,(H2,16,21)(H2,17,18,23)