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

Systemtic Name: tert-butyl 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C12H16N4O2S2 MolecularWeight: 312.41104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1N)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1N)C2=CC=CS2

InChI

InChI=1S/C12H16N4O2S2/c1-12(2,3)18-9(17)7-20-11-15-14-10(16(11)13)8-5-4-6-19-8/h4-6H,7,13H2,1-3H3