N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluoro-phenyl)propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-fluoro-phenyl)propionamide Formula: C19H17ClFN5OS MolecularWeight: 417.887583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C19H17ClFN5OS/c1-3-10-26-17(13-6-8-22-9-7-13)24-25-19(26)28-12(2)18(27)23-14-4-5-16(21)15(20)11-14/h3-9,11-12H,1,10H2,2H3,(H,23,27)