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

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-ethylpyrazole-3-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)-1-ethyl-pyrazole-3-carboxamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N5O3S/c1-2-19-6-9(12(18-19)13(15)20)17-14(23)16-8-3-4-10-11(5-8)22-7-21-10/h3-6H,2,7H2,1H3,(H2,15,20)(H2,16,17,23)