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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)Cl)COCO4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)Cl)COCO4)C5=CC=CS5

InChI

InChI=1S/C18H16ClN3O2S2/c19-13-6-11-8-23-10-24-16(11)12(7-13)9-26-18-21-20-17(15-2-1-5-25-15)22(18)14-3-4-14/h1-2,5-7,14H,3-4,8-10H2