4-[5-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(5-bromo-2-methoxyphenyl)methylthio]-4-propyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(5-bromo-2-methoxy-benzyl)thio]-4-propyl-1,2,4-triazol-3-yl]pyridine Formula: C18H19BrN4OS MolecularWeight: 419.33866

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C(C=CC(=C2)Br)OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C(C=CC(=C2)Br)OC)C3=CC=NC=C3

InChI

InChI=1S/C18H19BrN4OS/c1-3-10-23-17(13-6-8-20-9-7-13)21-22-18(23)25-12-14-11-15(19)4-5-16(14)24-2/h4-9,11H,3,10,12H2,1-2H3