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

Systemtic Name: ethyl 2-[5-[(2-cyanophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[(2-cyanophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(2-cyanophenyl)methylthio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(2-cyanophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(2-cyanobenzyl)thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H24N4O2S/c1-2-26-19(25)12-18-22-23-20(24(18)17-10-4-3-5-11-17)27-14-16-9-7-6-8-15(16)13-21/h6-9,17H,2-5,10-12,14H2,1H3