5-(2-bromophenyl)-3-[3-(3-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-bromophenyl)-3-[3-(3-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-[3-(3-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-[3-(3-methylphenoxy)propylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-[3-(3-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-[3-(3-methylphenoxy)propylthio]-1H-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

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