3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-methylsulfonylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-mesylbenzyl)thio]-1,2,4-triazole Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O4S2/c1-3-22-18(14-6-9-16-17(10-14)26-12-25-16)20-21-19(22)27-11-13-4-7-15(8-5-13)28(2,23)24/h4-10H,3,11-12H2,1-2H3