2-[1,1-bis(chloranyl)-3-(1,3-diazinan-2-ylidene)-3-nitro-prop-1-en-2-yl]sulfanylethanol

Systemtic Name: 2-[1,1-bis(chloranyl)-3-(1,3-diazinan-2-ylidene)-3-nitro-prop-1-en-2-yl]sulfanylethanol Openeye Name: 2-[2,2-dichloro-1-[hexahydropyrimidin-2-ylidene(nitro)methyl]vinyl]sulfanylethanol CAS Name: 2-[[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]thio]ethanol IUPAC Name: 2-[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]sulfanylethanol Traditional Name: 2-[[2,2-dichloro-1-[hexahydropyrimidin-2-ylidene(nitro)methyl]vinyl]thio]ethanol Formula: C9H13Cl2N3O3S MolecularWeight: 314.18882

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C(=C(Cl)Cl)SCCO)[N+](=O)[O-])NC1

Isomeric SMILES

C1CNC(=C(C(=C(Cl)Cl)SCCO)[N+](=O)[O-])NC1

InChI

InChI=1S/C9H13Cl2N3O3S/c10-8(11)7(18-5-4-15)6(14(16)17)9-12-2-1-3-13-9/h12-13,15H,1-5H2