4-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-oxo-3-(3-pyridylmethylamino)propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-oxo-3-(3-pyridinylmethylamino)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-keto-3-(3-pyridylmethylamino)propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C15H14N5OS2- MolecularWeight: 344.43456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CCN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CCN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C15H15N5OS2/c21-13(17-10-11-3-1-6-16-9-11)5-7-20-14(18-19-15(20)22)12-4-2-8-23-12/h1-4,6,8-9H,5,7,10H2,(H,17,21)(H,19,22)/p-1