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

Systemtic Name: 1-methyl-4-[(phenylmethyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 4-(benzylcarbamothioylamino)-1-methyl-pyrazole-3-carboxamide CAS Name: 1-methyl-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 4-(benzylcarbamothioylamino)-1-methylpyrazole-3-carboxamide Traditional Name: 4-(benzylthiocarbamoylamino)-1-methyl-pyrazole-3-carboxamide Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C13H15N5OS/c1-18-8-10(11(17-18)12(14)19)16-13(20)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,19)(H2,15,16,20)