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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H16ClFN4O2S MolecularWeight: 442.893743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H16ClFN4O2S/c1-13-16(9-10-29-13)20-25-26-21(27(20)15-5-3-2-4-6-15)30-12-19(28)24-14-7-8-18(23)17(22)11-14/h2-11H,12H2,1H3,(H,24,28)