tert-butyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NNC(=N1)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NNC(=N1)C2=CC=CS2

InChI

InChI=1S/C12H15N3O2S2/c1-12(2,3)17-9(16)7-19-11-13-10(14-15-11)8-5-4-6-18-8/h4-6H,7H2,1-3H3,(H,13,14,15)