4-bromanyl-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: N-[[4-allyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[[5-[(4-tert-butylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: N-[[4-allyl-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-bromo-benzenesulfonamide Formula: C23H27BrN4O2S2 MolecularWeight: 535.52008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H27BrN4O2S2/c1-5-14-28-21(15-25-32(29,30)20-12-10-19(24)11-13-20)26-27-22(28)31-16-17-6-8-18(9-7-17)23(2,3)4/h5-13,25H,1,14-16H2,2-4H3