ethyl (2S)-2-[(4-cyclohexyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: ethyl (2S)-2-[(4-cyclohexyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl (2S)-2-[(4-cyclohexyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(4-cyclohexyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4-cyclohexyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(4-cyclohexyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionic acid ethyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C2CCCCC2)C3CC3

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NN=C(N1C2CCCCC2)C3CC3

InChI

InChI=1S/C16H25N3O2S/c1-3-21-15(20)11(2)22-16-18-17-14(12-9-10-12)19(16)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3/t11-/m0/s1