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

Systemtic Name: 4-[2-[(2-ethoxypyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(2-ethoxy-3-pyridyl)methylamino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(2-ethoxy-3-pyridinyl)methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(2-ethoxypyridin-3-yl)methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(2-ethoxy-3-pyridyl)methylamino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C16H16N5O2S2- MolecularWeight: 374.46054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C16H17N5O2S2/c1-2-23-15-11(5-3-7-17-15)9-18-13(22)10-21-14(19-20-16(21)24)12-6-4-8-25-12/h3-8H,2,9-10H2,1H3,(H,18,22)(H,20,24)/p-1