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

Systemtic Name: 4-[5-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[2-(3-bromophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[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=CC=NC=C3

Isomeric SMILES

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

InChI

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