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

Systemtic Name: cyclohexyl 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC2CCCCC2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC2CCCCC2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-21-16(11-26-14-9-7-13(8-10-14)22(24)25)19-20-18(21)28-12-17(23)27-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3