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

Systemtic Name: cyclohexyl 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OC3CCCCC3

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OC3CCCCC3

InChI

InChI=1S/C18H23N3O3S/c1-23-12-16-19-20-18(21(16)14-8-4-2-5-9-14)25-13-17(22)24-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3