N-methyl-N-(penta-1,3-dien-3-ylsulfanylmethyl)ethanamine; 4-nitrobenzoyl chloride

Systemtic Name: N-methyl-N-(penta-1,3-dien-3-ylsulfanylmethyl)ethanamine; 4-nitrobenzoyl chloride Openeye Name: N-methyl-N-(1-vinylprop-1-enylsulfanylmethyl)ethanamine; 4-nitrobenzoyl chloride CAS Name: N-methyl-N-[(penta-1,3-dien-3-ylthio)methyl]ethanamine; 4-nitrobenzoyl chloride IUPAC Name: N-methyl-N-(penta-1,3-dien-3-ylsulfanylmethyl)ethanamine; 4-nitrobenzoyl chloride Traditional Name: ethyl-methyl-[(1-vinylprop-1-enylthio)methyl]amine; 4-nitrobenzoyl chloride Formula: C16H21ClN2O3S MolecularWeight: 356.86754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CSC(=CC)C=C.C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(C)CSC(=CC)C=C.C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H17NS.C7H4ClNO3/c1-5-9(6-2)11-8-10(4)7-3;8-7(10)5-1-3-6(4-2-5)9(11)12/h5-6H,1,7-8H2,2-4H3;1-4H