2-fluoranyl-N-[2-oxidanyl-1-[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[2-oxidanyl-1-[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 2-fluoro-N-[2-hydroxy-1-[5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 2-fluoro-N-[2-hydroxy-1-[5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-fluoro-N-[2-hydroxy-1-[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 2-fluoro-N-[2-hydroxy-1-[5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C31H24FN5O3S2 MolecularWeight: 597.682363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(CO)NC(=O)C6=CC=CC=C6F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(CO)NC(=O)C6=CC=CC=C6F

InChI

InChI=1S/C31H24FN5O3S2/c32-22-13-5-4-12-21(22)30(40)33-23(18-38)29-34-35-31(36(29)20-10-2-1-3-11-20)41-19-28(39)37-24-14-6-8-16-26(24)42-27-17-9-7-15-25(27)37/h1-17,23,38H,18-19H2,(H,33,40)