2-chloranyl-N-[[4-(2,3-dimethylphenyl)-5-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-6-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[[4-(2,3-dimethylphenyl)-5-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-6-fluoranyl-benzamide Openeye Name: 2-chloro-N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-6-fluoro-benzamide CAS Name: 2-chloro-N-[[4-(2,3-dimethylphenyl)-5-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-6-fluorobenzamide IUPAC Name: 2-chloro-N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-6-fluorobenzamide Traditional Name: 2-chloro-N-[[4-(2,3-dimethylphenyl)-5-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-6-fluoro-benzamide Formula: C23H20ClFN6O2S2 MolecularWeight: 531.025303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=C(C=CC=C4Cl)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=C(C=CC=C4Cl)F)C

InChI

InChI=1S/C23H20ClFN6O2S2/c1-13-5-3-8-17(14(13)2)31-18(11-27-21(33)20-15(24)6-4-7-16(20)25)29-30-23(31)35-12-19(32)28-22-26-9-10-34-22/h3-10H,11-12H2,1-2H3,(H,27,33)(H,26,28,32)