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

Systemtic Name: 4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-(3-methoxypropylamino)-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(3-methoxypropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(3-methoxypropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(3-methoxypropylamino)ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C12H15N4O2S2- MolecularWeight: 311.4031

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CN1C(=NN=C1[S-])C2=CC=CS2

Isomeric SMILES

COCCCNC(=O)CN1C(=NN=C1[S-])C2=CC=CS2

InChI

InChI=1S/C12H16N4O2S2/c1-18-6-3-5-13-10(17)8-16-11(14-15-12(16)19)9-4-2-7-20-9/h2,4,7H,3,5-6,8H2,1H3,(H,13,17)(H,15,19)/p-1