2-[3,3-bis(chloranyl)-1-nitro-2-phenylsulfanyl-prop-2-enylidene]-1,3-diazinane

Systemtic Name: 2-[3,3-bis(chloranyl)-1-nitro-2-phenylsulfanyl-prop-2-enylidene]-1,3-diazinane Openeye Name: 2-(3,3-dichloro-1-nitro-2-phenylsulfanyl-prop-2-enylidene)hexahydropyrimidine CAS Name: 2-[3,3-dichloro-1-nitro-2-(phenylthio)prop-2-enylidene]-1,3-diazinane IUPAC Name: 2-(3,3-dichloro-1-nitro-2-phenylsulfanylprop-2-enylidene)-1,3-diazinane Traditional Name: 2-[3,3-dichloro-1-nitro-2-(phenylthio)prop-2-enylidene]hexahydropyrimidine Formula: C13H13Cl2N3O2S MolecularWeight: 346.23222

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C(=C(Cl)Cl)SC2=CC=CC=C2)[N+](=O)[O-])NC1

Isomeric SMILES

C1CNC(=C(C(=C(Cl)Cl)SC2=CC=CC=C2)[N+](=O)[O-])NC1

InChI

InChI=1S/C13H13Cl2N3O2S/c14-12(15)11(21-9-5-2-1-3-6-9)10(18(19)20)13-16-7-4-8-17-13/h1-3,5-6,16-17H,4,7-8H2