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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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