3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-ethyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-ethyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-ethyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-ethyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-ethyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-(piperonylthio)-5-(2-thienyl)-1,2,4-triazole Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C16H15N3O2S2/c1-2-19-15(14-4-3-7-22-14)17-18-16(19)23-9-11-5-6-12-13(8-11)21-10-20-12/h3-8H,2,9-10H2,1H3