3-[5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)Cl)COCO4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)Cl)COCO4)C5=CN=CC=C5

InChI

InChI=1S/C19H17ClN4O2S/c20-15-6-13-9-25-11-26-17(13)14(7-15)10-27-19-23-22-18(24(19)16-3-4-16)12-2-1-5-21-8-12/h1-2,5-8,16H,3-4,9-11H2