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

Systemtic Name: 4-[5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[2-(4-bromophenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[2-(4-bromophenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[2-(4-bromophenoxy)ethylthio]-1,2,4-triazol-3-yl]pyridine Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)C3=CC=NC=C3

InChI

InChI=1S/C18H17BrN4OS/c1-2-11-23-17(14-7-9-20-10-8-14)21-22-18(23)25-13-12-24-16-5-3-15(19)4-6-16/h2-10H,1,11-13H2