N-(5-chloranylpyridin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN5OS/c1-10(15(23)19-13-8-7-12(17)9-18-13)24-16-20-14(21-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,23)(H,20,21,22)