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

Systemtic Name: 2-[3,3-bis(chloranyl)-2-(4-methylphenyl)sulfanyl-1-nitro-prop-2-enylidene]-1,3-diazinane Openeye Name: 2-[3,3-dichloro-1-nitro-2-(p-tolylsulfanyl)prop-2-enylidene]hexahydropyrimidine CAS Name: 2-[3,3-dichloro-2-[(4-methylphenyl)thio]-1-nitroprop-2-enylidene]-1,3-diazinane IUPAC Name: 2-[3,3-dichloro-2-(4-methylphenyl)sulfanyl-1-nitroprop-2-enylidene]-1,3-diazinane Traditional Name: 2-[3,3-dichloro-1-nitro-2-(p-tolylthio)prop-2-enylidene]hexahydropyrimidine Formula: C14H15Cl2N3O2S MolecularWeight: 360.2588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=C(Cl)Cl)C(=C2NCCCN2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(=C(Cl)Cl)C(=C2NCCCN2)[N+](=O)[O-]

InChI

InChI=1S/C14H15Cl2N3O2S/c1-9-3-5-10(6-4-9)22-12(13(15)16)11(19(20)21)14-17-7-2-8-18-14/h3-6,17-18H,2,7-8H2,1H3