4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylsulfanylethylsulfanyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylsulfanylethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylsulfanylethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(methylthio)ethylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylsulfanylethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(methylthio)ethylthio]-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CSCCSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CSCCSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2S2/c1-25-9-10-26-19-21-20-18(15-5-3-2-4-6-15)22(19)12-14-7-8-16-17(11-14)24-13-23-16/h2-8,11H,9-10,12-13H2,1H3