3-[5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CN=CC=C4

InChI

InChI=1S/C17H15BrN4O2S/c1-22-16(11-3-2-4-19-9-11)20-21-17(22)25-10-12-7-14-15(8-13(12)18)24-6-5-23-14/h2-4,7-9H,5-6,10H2,1H3