5-[(phenylmethyl)carbamothioylamino]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-[(phenylmethyl)carbamothioylamino]-1H-pyrazole-4-carboxamide Openeye Name: 5-(benzylcarbamothioylamino)-1H-pyrazole-4-carboxamide CAS Name: 5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(benzylcarbamothioylamino)-1H-pyrazole-4-carboxamide Traditional Name: 5-(benzylthiocarbamoylamino)-1H-pyrazole-4-carboxamide Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=C(C=NN2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=C(C=NN2)C(=O)N

InChI

InChI=1S/C12H13N5OS/c13-10(18)9-7-15-17-11(9)16-12(19)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,18)(H3,14,15,16,17,19)