5-(4-ethylphenyl)-3-[2-(phenylsulfonyl)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-ethylphenyl)-3-[2-(phenylsulfonyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[2-(benzenesulfonyl)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(benzenesulfonyl)ethylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(benzenesulfonyl)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-(2-besylethylthio)-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S2/c1-2-14-8-10-15(11-9-14)17-19-18(21-20-17)24-12-13-25(22,23)16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,19,20,21)