2,2-dimethyl-6-[(4-nitrophenyl)methylsulfanyl]-3H-thiopyran-4-one

Systemtic Name: 2,2-dimethyl-6-[(4-nitrophenyl)methylsulfanyl]-3H-thiopyran-4-one Openeye Name: 2,2-dimethyl-6-[(4-nitrophenyl)methylsulfanyl]-3H-thiopyran-4-one CAS Name: 2,2-dimethyl-6-[(4-nitrophenyl)methylthio]-3H-thiopyran-4-one IUPAC Name: 2,2-dimethyl-6-[(4-nitrophenyl)methylsulfanyl]-3H-thiopyran-4-one Traditional Name: 2,2-dimethyl-6-[(4-nitrobenzyl)thio]-3H-thiopyran-4-one Formula: C14H15NO3S2 MolecularWeight: 309.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H15NO3S2/c1-14(2)8-12(16)7-13(20-14)19-9-10-3-5-11(6-4-10)15(17)18/h3-7H,8-9H2,1-2H3