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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C18H18ClN5O2S/c1-12(16(25)21-15-8-7-14(19)11-20-15)27-18-23-22-17(26)24(18)10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,20,21,25)