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

Systemtic Name: N-[1-[5-[2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-3-methyl-benzamide Openeye Name: N-[1-[5-[2-(5-fluoro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-3-methyl-benzamide CAS Name: N-[1-[5-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-3-methylbenzamide IUPAC Name: N-[1-[5-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-3-methylbenzamide Traditional Name: N-[1-[5-[[2-(5-fluoro-2-methyl-anilino)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-3-methyl-benzamide Formula: C27H26FN5O3S MolecularWeight: 519.590443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C27H26FN5O3S/c1-17-7-6-8-19(13-17)26(36)30-23(15-34)25-31-32-27(33(25)21-9-4-3-5-10-21)37-16-24(35)29-22-14-20(28)12-11-18(22)2/h3-14,23,34H,15-16H2,1-2H3,(H,29,35)(H,30,36)