5-(2-bromophenyl)-3-[2-(4-methoxyphenyl)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-bromophenyl)-3-[2-(4-methoxyphenyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-[2-(4-methoxyphenyl)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-[2-(4-methoxyphenyl)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-[2-(4-methoxyphenyl)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-[2-(4-methoxyphenyl)ethylthio]-1H-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)CCSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H16BrN3OS/c1-22-13-8-6-12(7-9-13)10-11-23-17-19-16(20-21-17)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,20,21)