4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-methylpyrazole-3-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)-2-methyl-pyrazole-3-carboxamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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