2-[(6-nitro-1,3-benzoxazol-2-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[(6-nitro-1,3-benzoxazol-2-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[(6-nitro-1,3-benzoxazol-2-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[(6-nitro-1,3-benzoxazol-2-yl)thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[(6-nitro-1,3-benzoxazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[(6-nitro-1,3-benzoxazol-2-yl)thio]-1-phenothiazin-10-yl-ethanone Formula: C21H13N3O4S2 MolecularWeight: 435.47562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4S2/c25-20(12-29-21-22-14-10-9-13(24(26)27)11-17(14)28-21)23-15-5-1-3-7-18(15)30-19-8-4-2-6-16(19)23/h1-11H,12H2