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

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-cyclohexyl-5-methyl-1,2,4-triazole IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-cyclohexyl-5-methyl-1,2,4-triazole Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H20ClN3O2S/c1-11-19-20-17(21(11)13-5-3-2-4-6-13)24-9-12-7-14(18)16-15(8-12)22-10-23-16/h7-8,13H,2-6,9-10H2,1H3