N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-(2-furylmethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-(2-furfuryl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H18ClFN4O2S MolecularWeight: 456.920323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H18ClFN4O2S/c1-14-4-2-5-15(10-14)21-26-27-22(28(21)12-17-6-3-9-30-17)31-13-20(29)25-16-7-8-19(24)18(23)11-16/h2-11H,12-13H2,1H3,(H,25,29)