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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-4-methyl-5-(piperonylthio)-1,2,4-triazole Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC

InChI

InChI=1S/C18H17N3O3S/c1-21-17(13-5-3-4-6-14(13)22-2)19-20-18(21)25-10-12-7-8-15-16(9-12)24-11-23-15/h3-9H,10-11H2,1-2H3