4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-oxo-2-(prop-2-ynylamino)ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-oxo-2-(prop-2-ynylamino)ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-oxo-2-(prop-2-ynylamino)ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(propargylamino)ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C11H9N4OS2- MolecularWeight: 277.34536

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1C(=NN=C1[S-])C2=CC=CS2

Isomeric SMILES

C#CCNC(=O)CN1C(=NN=C1[S-])C2=CC=CS2

InChI

InChI=1S/C11H10N4OS2/c1-2-5-12-9(16)7-15-10(13-14-11(15)17)8-4-3-6-18-8/h1,3-4,6H,5,7H2,(H,12,16)(H,14,17)/p-1