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

Systemtic Name: cyclohexyl 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S2/c27-22(28-19-12-6-2-7-13-19)17-30-23-25-24-21(16-29-20-14-8-3-9-15-20)26(23)18-10-4-1-5-11-18/h1,3-5,8-11,14-15,19H,2,6-7,12-13,16-17H2