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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(3-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(=CC=C3)Br)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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