2-[3,3-bis(chloranyl)-1-nitro-2-(phenylmethylsulfanyl)prop-2-enylidene]-1,3-dithiolane

Systemtic Name: 2-[3,3-bis(chloranyl)-1-nitro-2-(phenylmethylsulfanyl)prop-2-enylidene]-1,3-dithiolane Openeye Name: 2-(2-benzylsulfanyl-3,3-dichloro-1-nitro-prop-2-enylidene)-1,3-dithiolane CAS Name: 2-[3,3-dichloro-1-nitro-2-(phenylmethylthio)prop-2-enylidene]-1,3-dithiolane IUPAC Name: 2-(2-benzylsulfanyl-3,3-dichloro-1-nitroprop-2-enylidene)-1,3-dithiolane Traditional Name: 2-[2-(benzylthio)-3,3-dichloro-1-nitro-prop-2-enylidene]-1,3-dithiolane Formula: C13H11Cl2NO2S3 MolecularWeight: 380.33294

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C(=C(Cl)Cl)SCC2=CC=CC=C2)[N+](=O)[O-])S1

Isomeric SMILES

C1CSC(=C(C(=C(Cl)Cl)SCC2=CC=CC=C2)[N+](=O)[O-])S1

InChI

InChI=1S/C13H11Cl2NO2S3/c14-12(15)11(21-8-9-4-2-1-3-5-9)10(16(17)18)13-19-6-7-20-13/h1-5H,6-8H2