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

Systemtic Name: 3-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CCC(=O)N

InChI

InChI=1S/C15H17N5O4S/c1-20-13(5-4-12(16)21)18-19-15(20)25-7-14(22)17-9-2-3-10-11(6-9)24-8-23-10/h2-3,6H,4-5,7-8H2,1H3,(H2,16,21)(H,17,22)