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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,5-dicyclopropyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,5-dicyclopropyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4,5-dicyclopropyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,5-dicyclopropyl-1,2,4-triazole Traditional Name: 3,4-dicyclopropyl-5-(piperonylthio)-1,2,4-triazole Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C16H17N3O2S/c1-6-13-14(21-9-20-13)7-10(1)8-22-16-18-17-15(11-2-3-11)19(16)12-4-5-12/h1,6-7,11-12H,2-5,8-9H2