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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5-(piperonylthio)-1,2,4-triazole Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5OC

InChI

InChI=1S/C24H21N3O4S/c1-28-18-10-8-17(9-11-18)27-23(19-5-3-4-6-20(19)29-2)25-26-24(27)32-14-16-7-12-21-22(13-16)31-15-30-21/h3-13H,14-15H2,1-2H3