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

Systemtic Name: 4-[5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-propyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-propyl-1,2,4-triazol-3-yl]pyridine Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=NC=C4

InChI

InChI=1S/C19H19BrN4O2S/c1-2-7-24-18(13-3-5-21-6-4-13)22-23-19(24)27-12-14-10-16-17(11-15(14)20)26-9-8-25-16/h3-6,10-11H,2,7-9,12H2,1H3