3-(1,3-benzodioxol-5-yl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(2-mercaptoethyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(2-mercaptoethyl)-1H-pyrazole-5-carboxamide Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NCCS

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NCCS

InChI

InChI=1S/C13H13N3O3S/c17-13(14-3-4-20)10-6-9(15-16-10)8-1-2-11-12(5-8)19-7-18-11/h1-2,5-6,20H,3-4,7H2,(H,14,17)(H,15,16)