8-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 8-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=CO5

InChI

InChI=1S/C22H22N4OS/c1-2-10-18(11-3-1)26-21(19-12-6-14-27-19)24-25-22(26)28-15-17-8-4-7-16-9-5-13-23-20(16)17/h4-9,12-14,18H,1-3,10-11,15H2