4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methoxyphenoxy)ethylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-methoxyphenoxy)ethylthio]-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c1-29-20-8-10-21(11-9-20)30-13-14-33-25-27-26-24(19-5-3-2-4-6-19)28(25)16-18-7-12-22-23(15-18)32-17-31-22/h2-12,15H,13-14,16-17H2,1H3