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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-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-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2N)C3=CC=CO3)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2N)C3=CC=CO3)C(C)C

InChI

InChI=1S/C18H26N4O3S/c1-11(2)13-7-6-12(3)9-15(13)25-16(23)10-26-18-21-20-17(22(18)19)14-5-4-8-24-14/h4-5,8,11-13,15H,6-7,9-10,19H2,1-3H3