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

Systemtic Name: 3-[5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCCO4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCCO4)C5=CN=CC=C5

InChI

InChI=1S/C19H17BrN4O2S/c20-15-9-17-16(25-6-7-26-17)8-13(15)11-27-19-23-22-18(24(19)14-3-4-14)12-2-1-5-21-10-12/h1-2,5,8-10,14H,3-4,6-7,11H2