3-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-keto-2-(piperonylamino)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CCC(=O)N

InChI

InChI=1S/C17H21N5O4S/c1-2-22-15(6-5-14(18)23)20-21-17(22)27-9-16(24)19-8-11-3-4-12-13(7-11)26-10-25-12/h3-4,7H,2,5-6,8-10H2,1H3,(H2,18,23)(H,19,24)