hexyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: hexyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: hexyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)thio]acetic acid hexyl ester IUPAC Name: hexyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)thio]acetic acid hexyl ester Formula: C16H20N2O2S2 MolecularWeight: 336.4722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CSC1=NN=C(S1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC(=O)CSC1=NN=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2S2/c1-2-3-4-8-11-20-14(19)12-21-16-18-17-15(22-16)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3