5-nitro-4-propan-2-ylsulfanyl-7-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name: 5-nitro-4-propan-2-ylsulfanyl-7-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 4-isopropylsulfanyl-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 5-nitro-4-(propan-2-ylthio)-7-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 5-nitro-4-propan-2-ylsulfanyl-7-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 4-(isopropylthio)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C11H8F3NO3S3 MolecularWeight: 355.37633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H8F3NO3S3/c1-4(2)19-8-6(15(17)18)3-5(11(12,13)14)7-9(8)21-10(16)20-7/h3-4H,1-2H3