3-[(3-bromophenyl)methylsulfanyl]-5-(5-chloranyl-2-methoxy-phenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(5-chloranyl-2-methoxy-phenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(5-chloro-2-methoxy-phenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(5-chloro-2-methoxy-phenyl)-4-methyl-1,2,4-triazole Formula: C17H15BrClN3OS MolecularWeight: 424.7425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClN3OS/c1-22-16(14-9-13(19)6-7-15(14)23-2)20-21-17(22)24-10-11-4-3-5-12(18)8-11/h3-9H,10H2,1-2H3