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

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-5-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenoxy)methyl]-5-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-5-[(2,4-dimethylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenoxy)methyl]-5-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromophenoxy)methyl]-5-[(2,4-dimethylbenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C24H22BrN3OS MolecularWeight: 480.41998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Br)C

InChI

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