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

Systemtic Name: N-[3-[(4-bromanylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[(4-bromophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[(4-bromophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[(4-bromophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[(4-bromophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide Formula: C16H15BrN4O3S2 MolecularWeight: 455.3493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=NNC2=S)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=NNC2=S)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4O3S2/c1-11-2-8-14(9-3-11)26(22,23)20-21-15(18-19-16(21)25)10-24-13-6-4-12(17)5-7-13/h2-9,20H,10H2,1H3,(H,19,25)