(5-methyl-2-propan-2-yl-cyclohexyl) 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C20H29N3O3S MolecularWeight: 391.52756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C)C3=C(OC=C3)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C)C3=C(OC=C3)C)C(C)C

InChI

InChI=1S/C20H29N3O3S/c1-12(2)15-7-6-13(3)10-17(15)26-18(24)11-27-20-22-21-19(23(20)5)16-8-9-25-14(16)4/h8-9,12-13,15,17H,6-7,10-11H2,1-5H3