ethyl 2-[4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclohexyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclohexyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-2-27-18(24)12-17-20-21-19(22(17)15-6-4-3-5-7-15)28-13-14-8-10-16(11-9-14)23(25)26/h8-11,15H,2-7,12-13H2,1H3