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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-(piperonylthio)-1,2,4-triazole Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5Cl

InChI

InChI=1S/C21H20ClN3O2S/c22-17-8-4-3-7-16(17)20-23-24-21(25(20)15-5-1-2-6-15)28-12-14-9-10-18-19(11-14)27-13-26-18/h3-4,7-11,15H,1-2,5-6,12-13H2