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

Systemtic Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5-propyl-1H-1,2,4-triazole Formula: C13H16ClN3O2S2 MolecularWeight: 345.86804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC1=NC(=NN1)SCCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN3O2S2/c1-2-3-12-15-13(17-16-12)20-8-9-21(18,19)11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,16,17)