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

Systemtic Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-aniline Openeye Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-aniline CAS Name: N-[[5-[(3-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methylaniline IUPAC Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methylaniline Traditional Name: [5-[(3-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl-(o-tolyl)amine Formula: C23H21BrN4S MolecularWeight: 465.40864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H21BrN4S/c1-17-8-5-6-13-21(17)25-15-22-26-27-23(28(22)20-11-3-2-4-12-20)29-16-18-9-7-10-19(24)14-18/h2-14,25H,15-16H2,1H3