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

Systemtic Name: 4-cyclohexyl-3-(furan-2-yl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(2-furyl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(2-furanyl)-5-[2-(4-methylphenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(furan-2-yl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(2-furyl)-5-[2-(4-methylphenoxy)ethylthio]-1,2,4-triazole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-16-9-11-18(12-10-16)25-14-15-27-21-23-22-20(19-8-5-13-26-19)24(21)17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14-15H2,1H3