3-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-phenyl-4-p-phenetyl-1,2,4-triazole Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3OS/c1-2-28-21-14-12-20(13-15-21)27-22(18-6-4-3-5-7-18)25-26-23(27)29-16-17-8-10-19(24)11-9-17/h3-15H,2,16H2,1H3