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

Systemtic Name: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[[5-[(2-indolin-1-yl-2-keto-ethyl)thio]-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C28H26FN5O3S MolecularWeight: 531.601143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H26FN5O3S/c1-2-37-23-12-10-22(11-13-23)34-25(17-30-27(36)20-7-5-8-21(29)16-20)31-32-28(34)38-18-26(35)33-15-14-19-6-3-4-9-24(19)33/h3-13,16H,2,14-15,17-18H2,1H3,(H,30,36)