3-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H18BrN3O2S/c1-22-17(13-6-9-15(23-2)16(10-13)24-3)20-21-18(22)25-11-12-4-7-14(19)8-5-12/h4-10H,11H2,1-3H3