N-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[(4-ethoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-ethoxybenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NNC(=S)N2NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NNC(=S)N2NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H20N4O3S2/c1-3-25-15-8-6-14(7-9-15)12-17-19-20-18(26)22(17)21-27(23,24)16-10-4-13(2)5-11-16/h4-11,21H,3,12H2,1-2H3,(H,20,26)