N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-piperonylamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN1C(=NNC1=S)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N4O3S/c1-2-17-11(15-16-13(17)21)6-14-12(18)8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3,(H,14,18)(H,16,21)