3-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazole Openeye Name: 3-[2-(4-chloro-3-methyl-phenoxy)ethylsulfanyl]-4-cyclohexyl-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[2-(4-chloro-3-methylphenoxy)ethylthio]-4-cyclohexyl-5-(2-furanyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-chloro-3-methylphenoxy)ethylsulfanyl]-4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 3-[2-(4-chloro-3-methyl-phenoxy)ethylthio]-4-cyclohexyl-5-(2-furyl)-1,2,4-triazole Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2C3CCCCC3)C4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2C3CCCCC3)C4=CC=CO4)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-15-14-17(9-10-18(15)22)26-12-13-28-21-24-23-20(19-8-5-11-27-19)25(21)16-6-3-2-4-7-16/h5,8-11,14,16H,2-4,6-7,12-13H2,1H3