3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[2-(3-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[2-(3-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-4-cyclohexyl-5-[2-(3-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-4-cyclohexyl-5-[2-(3-methoxyphenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[2-(3-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-4-cyclohexyl-5-[2-(3-methoxyphenoxy)ethylthio]-1,2,4-triazole Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC(=CC=C1)OCCSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N3O3S/c1-29-20-11-7-12-21(17-20)30-14-15-32-25-27-26-24(28(25)19-9-3-2-4-10-19)23-16-18-8-5-6-13-22(18)31-23/h5-8,11-13,16-17,19H,2-4,9-10,14-15H2,1H3