3-[(3-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=CC=C4)Br

InChI

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