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

Systemtic Name: N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methyl-propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-methyl-propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-methyl-propyl]-piperonylamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-4-20-14(18-19-16(20)24)13(9(2)3)17-15(21)10-5-6-11-12(7-10)23-8-22-11/h5-7,9,13H,4,8H2,1-3H3,(H,17,21)(H,19,24)