3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole Traditional Name: 3-[(2-chlorophenoxy)methyl]-4-cyclopropyl-5-(piperonylthio)-1,2,4-triazole Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)COC5=CC=CC=C5Cl

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)COC5=CC=CC=C5Cl

InChI

InChI=1S/C20H18ClN3O3S/c21-15-3-1-2-4-16(15)25-10-19-22-23-20(24(19)14-6-7-14)28-11-13-5-8-17-18(9-13)27-12-26-17/h1-5,8-9,14H,6-7,10-12H2