5-(4-chlorophenyl)-4-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chlorophenyl)-4-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chlorophenyl)-4-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chlorophenyl)-4-[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chlorophenyl)-4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chlorophenyl)-4-[2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]-1,2,4-triazole-3-thiolate Formula: C17H15ClN5OS- MolecularWeight: 372.8519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC(=O)CN2C(=NN=C2[S-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)CCNC(=O)CN2C(=NN=C2[S-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN5OS/c18-13-6-4-12(5-7-13)16-21-22-17(25)23(16)11-15(24)20-10-8-14-3-1-2-9-19-14/h1-7,9H,8,10-11H2,(H,20,24)(H,22,25)/p-1