2-[3,3-bis(chloranyl)-2-(4-methylphenyl)sulfanyl-1-nitro-prop-2-enylidene]-1,3-dithiolane

Systemtic Name: 2-[3,3-bis(chloranyl)-2-(4-methylphenyl)sulfanyl-1-nitro-prop-2-enylidene]-1,3-dithiolane Openeye Name: 2-[3,3-dichloro-1-nitro-2-(p-tolylsulfanyl)prop-2-enylidene]-1,3-dithiolane CAS Name: 2-[3,3-dichloro-2-[(4-methylphenyl)thio]-1-nitroprop-2-enylidene]-1,3-dithiolane IUPAC Name: 2-[3,3-dichloro-2-(4-methylphenyl)sulfanyl-1-nitroprop-2-enylidene]-1,3-dithiolane Traditional Name: 2-[3,3-dichloro-1-nitro-2-(p-tolylthio)prop-2-enylidene]-1,3-dithiolane Formula: C13H11Cl2NO2S3 MolecularWeight: 380.33294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=C(Cl)Cl)C(=C2SCCS2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(=C(Cl)Cl)C(=C2SCCS2)[N+](=O)[O-]

InChI

InChI=1S/C13H11Cl2NO2S3/c1-8-2-4-9(5-3-8)21-11(12(14)15)10(16(17)18)13-19-6-7-20-13/h2-5H,6-7H2,1H3