3-ethoxy-2-[2-(4-nitrophenyl)ethylamino]butane-2-thiol

Systemtic Name: 3-ethoxy-2-[2-(4-nitrophenyl)ethylamino]butane-2-thiol Openeye Name: 3-ethoxy-2-[2-(4-nitrophenyl)ethylamino]butane-2-thiol CAS Name: 3-ethoxy-2-[2-(4-nitrophenyl)ethylamino]-2-butanethiol IUPAC Name: 3-ethoxy-2-[2-(4-nitrophenyl)ethylamino]butane-2-thiol Traditional Name: 3-ethoxy-2-[2-(4-nitrophenyl)ethylamino]butane-2-thiol Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)C(C)(NCCC1=CC=C(C=C1)[N+](=O)[O-])S

Isomeric SMILES

CCOC(C)C(C)(NCCC1=CC=C(C=C1)[N+](=O)[O-])S

InChI

InChI=1S/C14H22N2O3S/c1-4-19-11(2)14(3,20)15-10-9-12-5-7-13(8-6-12)16(17)18/h5-8,11,15,20H,4,9-10H2,1-3H3