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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(m-tolyl)-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=C3)Br)C4=CC(=CC=C4)C

Isomeric SMILES

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

InChI

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