3-(3-methyl-4-nitro-phenyl)sulfanyl-N,N-di(propan-2-yl)propan-1-amine

Systemtic Name: 3-(3-methyl-4-nitro-phenyl)sulfanyl-N,N-di(propan-2-yl)propan-1-amine Openeye Name: N,N-diisopropyl-3-(3-methyl-4-nitro-phenyl)sulfanyl-propan-1-amine CAS Name: 3-[(3-methyl-4-nitrophenyl)thio]-N,N-di(propan-2-yl)-1-propanamine IUPAC Name: 3-(3-methyl-4-nitrophenyl)sulfanyl-N,N-di(propan-2-yl)propan-1-amine Traditional Name: diisopropyl-[3-[(3-methyl-4-nitro-phenyl)thio]propyl]amine Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCCN(C(C)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SCCCN(C(C)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O2S/c1-12(2)17(13(3)4)9-6-10-21-15-7-8-16(18(19)20)14(5)11-15/h7-8,11-13H,6,9-10H2,1-5H3