3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5-cyclopropyl-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Traditional Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5-cyclopropyl-1H-1,2,4-triazole Formula: C13H14ClN3O2S2 MolecularWeight: 343.85216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H14ClN3O2S2/c14-10-3-5-11(6-4-10)21(18,19)8-7-20-13-15-12(16-17-13)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,15,16,17)