3-[(4-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H18BrN3OS/c1-23-12-11-22-17(15-5-3-2-4-6-15)20-21-18(22)24-13-14-7-9-16(19)10-8-14/h2-10H,11-13H2,1H3