3-[5-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[2-(3-bromophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[2-(3-bromophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine Formula: C16H15BrN4OS MolecularWeight: 391.2855

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC(=CC=C2)Br)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC(=CC=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C16H15BrN4OS/c1-21-15(12-4-3-7-18-11-12)19-20-16(21)23-9-8-22-14-6-2-5-13(17)10-14/h2-7,10-11H,8-9H2,1H3