5-bromanyl-2-ethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide Openeye Name: 5-bromo-2-ethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide CAS Name: 5-bromo-2-ethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzenesulfonamide IUPAC Name: 5-bromo-2-ethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide Traditional Name: 5-bromo-2-ethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzenesulfonamide Formula: C17H17BrN4O3S2 MolecularWeight: 469.37588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

InChI

InChI=1S/C17H17BrN4O3S2/c1-3-25-15-9-4-12(18)10-16(15)27(23,24)21-13-5-7-14(8-6-13)26-17-20-19-11-22(17)2/h4-11,21H,3H2,1-2H3