2-(4-cyano-2-nitro-phenyl)sulfanylethyl N-butylcarbamate

Systemtic Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethyl N-butylcarbamate Openeye Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethyl N-butylcarbamate CAS Name: N-butylcarbamic acid 2-[(4-cyano-2-nitrophenyl)thio]ethyl ester IUPAC Name: 2-(4-cyano-2-nitrophenyl)sulfanylethyl N-butylcarbamate Traditional Name: N-butylcarbamic acid 2-[(4-cyano-2-nitro-phenyl)thio]ethyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OCCSC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)OCCSC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S/c1-2-3-6-16-14(18)21-7-8-22-13-5-4-11(10-15)9-12(13)17(19)20/h4-5,9H,2-3,6-8H2,1H3,(H,16,18)