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

Systemtic Name: 1-ethyl-4-[(phenylmethyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 4-(benzylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 4-(benzylcarbamothioylamino)-1-ethylpyrazole-3-carboxamide Traditional Name: 4-(benzylthiocarbamoylamino)-1-ethyl-pyrazole-3-carboxamide Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C14H17N5OS/c1-2-19-9-11(12(18-19)13(15)20)17-14(21)16-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,20)(H2,16,17,21)