N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline Traditional Name: [5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl-(4-methoxyphenyl)amine Formula: C23H21BrN4OS MolecularWeight: 481.40804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN4OS/c1-29-21-13-11-19(12-14-21)25-15-22-26-27-23(28(22)20-5-3-2-4-6-20)30-16-17-7-9-18(24)10-8-17/h2-14,25H,15-16H2,1H3