2-[2-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[(2-cyanophenyl)methylthio]-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[(2-cyanobenzyl)thio]-4-methyl-thiazol-5-yl]acetate Formula: C14H11N2O2S2- MolecularWeight: 303.37934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC=CC=C2C#N)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC=CC=C2C#N)CC(=O)[O-]

InChI

InChI=1S/C14H12N2O2S2/c1-9-12(6-13(17)18)20-14(16-9)19-8-11-5-3-2-4-10(11)7-15/h2-5H,6,8H2,1H3,(H,17,18)/p-1