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

Systemtic Name: 4-bromanyl-N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 4-bromo-N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 4-bromo-N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 4-bromo-N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (4-bromophenyl)-[[5-[(4-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]amine Formula: C22H18BrClN4S MolecularWeight: 485.82712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)CNC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)CNC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrClN4S/c23-17-8-12-19(13-9-17)25-14-21-26-27-22(28(21)20-4-2-1-3-5-20)29-15-16-6-10-18(24)11-7-16/h1-13,25H,14-15H2