pentakis(fluoranyl)-[4-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-4-yl]phenyl]-$l^{6}-sulfane

Systemtic Name: pentakis(fluoranyl)-[4-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-4-yl]phenyl]-$l^{6}-sulfane Openeye Name: pentafluoro-[4-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-4-yl]phenyl]-$l^{6}-sulfane CAS Name: pentafluoro-[4-[(9E)-9-[[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-4-yl]phenyl]-$l^{6}-sulfane IUPAC Name: pentafluoro-[4-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-4-yl]phenyl]-$l^{6}-sulfane Traditional Name: pentafluoro-[4-[(9E)-9-[3-methoxy-4-(4-methylimidazol-1-yl)benzylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-4-yl]phenyl]-$l^{6}-sulfane Formula: C25H26F5N5OS MolecularWeight: 539.563856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCCN4C3=NCCN4C5=CC=C(C=C5)S(F)(F)(F)(F)F)OC

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CCCN4C3=NCCN4C5=CC=C(C=C5)S(F)(F)(F)(F)F)OC

InChI

InChI=1S/C25H26F5N5OS/c1-18-16-33(17-32-18)23-10-5-19(15-24(23)36-2)14-20-4-3-12-35-25(20)31-11-13-34(35)21-6-8-22(9-7-21)37(26,27,28,29)30/h5-10,14-17H,3-4,11-13H2,1-2H3/b20-14+