2-chloranyl-N-[[4-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-5-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-6-fluorobenzamide IUPAC Name: 2-chloro-N-[[4-(4-ethoxyphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-6-fluorobenzamide Traditional Name: 2-chloro-6-fluoro-N-[[5-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C23H20ClFN6O3S2 MolecularWeight: 547.024703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H20ClFN6O3S2/c1-2-34-15-8-6-14(7-9-15)31-18(12-27-21(33)20-16(24)4-3-5-17(20)25)29-30-23(31)36-13-19(32)28-22-26-10-11-35-22/h3-11H,2,12-13H2,1H3,(H,27,33)(H,26,28,32)