4-(2,4-dinitrophenyl)sulfanyl-N,N-diethyl-butan-1-amine

Systemtic Name: 4-(2,4-dinitrophenyl)sulfanyl-N,N-diethyl-butan-1-amine Openeye Name: 4-(2,4-dinitrophenyl)sulfanyl-N,N-diethyl-butan-1-amine CAS Name: 4-[(2,4-dinitrophenyl)thio]-N,N-diethyl-1-butanamine IUPAC Name: 4-(2,4-dinitrophenyl)sulfanyl-N,N-diethylbutan-1-amine Traditional Name: 4-[(2,4-dinitrophenyl)thio]butyl-diethyl-amine Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4S/c1-3-15(4-2)9-5-6-10-22-14-8-7-12(16(18)19)11-13(14)17(20)21/h7-8,11H,3-6,9-10H2,1-2H3