3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-ethylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 5-(4-ethylphenyl)-3-(piperonylthio)-1H-1,2,4-triazole Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O2S/c1-2-12-3-6-14(7-4-12)17-19-18(21-20-17)24-10-13-5-8-15-16(9-13)23-11-22-15/h3-9H,2,10-11H2,1H3,(H,19,20,21)