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

Systemtic Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-[(2-methylbenzyl)thio]-4-p-phenetyl-1,2,4-triazole Formula: C24H22BrN3OS MolecularWeight: 480.41998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3OS/c1-3-29-22-14-12-21(13-15-22)28-23(18-8-10-20(25)11-9-18)26-27-24(28)30-16-19-7-5-4-6-17(19)2/h4-15H,3,16H2,1-2H3