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

Systemtic Name: propan-2-yl 2-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1C2CCCCC2)CSC3=NC=CC=N3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1C2CCCCC2)CSC3=NC=CC=N3

InChI

InChI=1S/C18H25N5O2S2/c1-13(2)25-16(24)12-27-18-22-21-15(11-26-17-19-9-6-10-20-17)23(18)14-7-4-3-5-8-14/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3