N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-ethoxy-pyridine-3-carboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-ethoxy-pyridine-3-carboxamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-ethoxy-pyridine-3-carboxamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-2-ethoxy-3-pyridinecarboxamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-ethoxypyridine-3-carboxamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-2-ethoxy-nicotinamide Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN5O2S/c1-2-25-15-13(4-3-9-19-15)14(24)20-16-21-17(23-22-16)26-10-11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3,(H2,20,21,22,23,24)