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

Systemtic Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: N-[[5-[(3-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: [5-[(3-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl-phenyl-amine Formula: C22H19BrN4S MolecularWeight: 451.38206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4S/c23-18-9-7-8-17(14-18)16-28-22-26-25-21(15-24-19-10-3-1-4-11-19)27(22)20-12-5-2-6-13-20/h1-14,24H,15-16H2