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

Systemtic Name: 3-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-chloro-3-methyl-phenoxy)ethylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-chloro-3-methylphenoxy)ethylthio]-5-cyclohexyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-chloro-3-methylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-chloro-3-methyl-phenoxy)ethylthio]-5-cyclohexyl-4-phenyl-1,2,4-triazole Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4)Cl

InChI

InChI=1S/C23H26ClN3OS/c1-17-16-20(12-13-21(17)24)28-14-15-29-23-26-25-22(18-8-4-2-5-9-18)27(23)19-10-6-3-7-11-19/h3,6-7,10-13,16,18H,2,4-5,8-9,14-15H2,1H3