3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Formula: C24H22BrN3OS MolecularWeight: 480.41998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CC=C4)C

InChI

InChI=1S/C24H22BrN3OS/c1-17-8-11-21(16-18(17)2)28-23(19-6-4-3-5-7-19)26-27-24(28)30-15-14-29-22-12-9-20(25)10-13-22/h3-13,16H,14-15H2,1-2H3