N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H11ClFN5OS MolecularWeight: 351.786443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)N2C=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CN(C=C1)N2C=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C14H11ClFN5OS/c15-11-7-10(3-4-12(11)16)18-13(22)8-23-14-19-17-9-21(14)20-5-1-2-6-20/h1-7,9H,8H2,(H,18,22)