4-chloranyl-N-[1-[5-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[1-[5-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide Openeye Name: 4-chloro-N-[1-[5-[2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]benzamide CAS Name: 4-chloro-N-[1-[5-[[1-(4-fluoroanilino)-1-oxopropan-2-yl]thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]benzamide IUPAC Name: 4-chloro-N-[1-[5-[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]benzamide Traditional Name: 4-chloro-N-[1-[5-[[2-(4-fluoroanilino)-2-keto-1-methyl-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]benzamide Formula: C26H23ClFN5O3S MolecularWeight: 540.008923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)SC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)F)SC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClFN5O3S/c1-16(24(35)29-20-13-11-19(28)12-14-20)37-26-32-31-23(33(26)21-5-3-2-4-6-21)22(15-34)30-25(36)17-7-9-18(27)10-8-17/h2-14,16,22,34H,15H2,1H3,(H,29,35)(H,30,36)