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

Systemtic Name: N-[3-[(4-butoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[(4-butoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[(4-butoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[(4-butoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-butoxybenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H24N4O3S2/c1-3-4-13-27-17-9-7-16(8-10-17)14-19-21-22-20(28)24(19)23-29(25,26)18-11-5-15(2)6-12-18/h5-12,23H,3-4,13-14H2,1-2H3,(H,22,28)