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

Systemtic Name: ethyl 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C19H25N3O2S/c1-2-24-17(23)14-25-19-21-20-18(16-11-7-4-8-12-16)22(19)13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3