4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-methylpyrazole-3-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)-1-methyl-pyrazole-3-carboxamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N5O3S/c1-18-5-8(11(17-18)12(14)19)16-13(22)15-7-2-3-9-10(4-7)21-6-20-9/h2-5H,6H2,1H3,(H2,14,19)(H2,15,16,22)