3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4,5-dicyclopropyl-1,2,4-triazole IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4,5-dicyclopropyl-1,2,4-triazole Formula: C16H16ClN3O2S MolecularWeight: 349.83514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C16H16ClN3O2S/c17-12-5-9(6-13-14(12)22-8-21-13)7-23-16-19-18-15(10-1-2-10)20(16)11-3-4-11/h5-6,10-11H,1-4,7-8H2