3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(piperonylthio)-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N4O2S/c1-11-2-5-13(6-3-11)16-19-20-17(21(16)18)24-9-12-4-7-14-15(8-12)23-10-22-14/h2-8H,9-10,18H2,1H3