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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methylphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methylphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methylphenoxy)ethylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methylphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(2-methylphenoxy)ethylthio]-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1OCCSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c1-18-7-5-6-10-21(18)29-13-14-32-25-27-26-24(20-8-3-2-4-9-20)28(25)16-19-11-12-22-23(15-19)31-17-30-22/h2-12,15H,13-14,16-17H2,1H3