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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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