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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(4-methoxyphenyl)-5-(piperonylthio)-1,2,4-triazole Formula: C19H19N3O3S MolecularWeight: 369.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-3-22-18(14-5-7-15(23-2)8-6-14)20-21-19(22)26-11-13-4-9-16-17(10-13)25-12-24-16/h4-10H,3,11-12H2,1-2H3