N-ethyl-2-methyl-N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl-prop-2-en-1-amine

Systemtic Name: N-ethyl-2-methyl-N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl-prop-2-en-1-amine Openeye Name: N-ethyl-2-methyl-N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl-prop-2-en-1-amine CAS Name: N-ethyl-N-(2-methylprop-2-enyl)-4-nitro-2-(trichloromethyl)benzenesulfenamide IUPAC Name: N-ethyl-2-methyl-N-[4-nitro-2-(trichloromethyl)phenyl]sulfanylprop-2-en-1-amine Traditional Name: ethyl-(2-methylallyl)-[[4-nitro-2-(trichloromethyl)phenyl]thio]amine Formula: C13H15Cl3N2O2S MolecularWeight: 369.6944

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)SC1=C(C=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

CCN(CC(=C)C)SC1=C(C=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

InChI

InChI=1S/C13H15Cl3N2O2S/c1-4-17(8-9(2)3)21-12-6-5-10(18(19)20)7-11(12)13(14,15)16/h5-7H,2,4,8H2,1,3H3