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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(4-methoxyphenyl)-5-(piperonylthio)-1,2,4-triazol-4-yl]amine Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N4O3S/c1-22-13-5-3-12(4-6-13)16-19-20-17(21(16)18)25-9-11-2-7-14-15(8-11)24-10-23-14/h2-8H,9-10,18H2,1H3