2-[9-(benzotriazol-2-yl)thioxanthen-9-yl]-1-phenyl-ethanone

Systemtic Name: 2-[9-(benzotriazol-2-yl)thioxanthen-9-yl]-1-phenyl-ethanone Openeye Name: 2-[9-(benzotriazol-2-yl)thioxanthen-9-yl]-1-phenyl-ethanone CAS Name: 2-[9-(2-benzotriazolyl)-9-thioxanthenyl]-1-phenylethanone IUPAC Name: 2-[9-(benzotriazol-2-yl)thioxanthen-9-yl]-1-phenylethanone Traditional Name: 2-[9-(benzotriazol-2-yl)thioxanthen-9-yl]-1-phenyl-ethanone Formula: C27H19N3OS MolecularWeight: 433.52426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3SC4=CC=CC=C42)N5N=C6C=CC=CC6=N5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3SC4=CC=CC=C42)N5N=C6C=CC=CC6=N5

InChI

InChI=1S/C27H19N3OS/c31-24(19-10-2-1-3-11-19)18-27(30-28-22-14-6-7-15-23(22)29-30)20-12-4-8-16-25(20)32-26-17-9-5-13-21(26)27/h1-17H,18H2