N-(2-cyanoethyl)-N-methyl-3-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-3-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-3-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(2-cyanoethyl)-N-methyl-3-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-3-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-methyl-3-[(4-nitrophenyl)thio]propionamide Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CCSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)CCSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3S/c1-15(9-2-8-14)13(17)7-10-20-12-5-3-11(4-6-12)16(18)19/h3-6H,2,7,9-10H2,1H3