4-[(2,2-dimethyl-4-oxidanylidene-3H-thiopyran-6-yl)sulfanyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2,2-dimethyl-4-oxidanylidene-3H-thiopyran-6-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(4-keto-2,2-dimethyl-3H-thiopyran-6-yl)thio]-3-nitro-benzonitrile Formula: C14H12N2O3S2 MolecularWeight: 320.38668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(S1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C=C(S1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C14H12N2O3S2/c1-14(2)7-10(17)6-13(21-14)20-12-4-3-9(8-15)5-11(12)16(18)19/h3-6H,7H2,1-2H3