2-[3-[(4-bromanylphenoxy)methyl]-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[3-[(4-bromanylphenoxy)methyl]-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-[(4-bromophenoxy)methyl]-4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone IUPAC Name: 2-[3-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone Traditional Name: 2-[3-[(4-bromophenoxy)methyl]-4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)CC(=O)C3=CC=CC=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)CC(=O)C3=CC=CC=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrN3O2S/c1-17-7-5-6-10-21(17)28-23(16-30-20-13-11-19(25)12-14-20)26-27(24(28)31)15-22(29)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3