4-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H20N4O3S2/c1-2-13-3-5-14(6-4-13)17-20-18(22-21-17)26-12-11-25-15-7-9-16(10-8-15)27(19,23)24/h3-10H,2,11-12H2,1H3,(H2,19,23,24)(H,20,21,22)