2-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethanamine

Systemtic Name: 2-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethanamine Openeye Name: 2-[1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]ethanamine CAS Name: 2-[1-ethyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-2-imidazolyl]ethanamine IUPAC Name: 2-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethanamine Traditional Name: 2-[1-ethyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazol-2-yl]ethylamine Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)CCN

Isomeric SMILES

CCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)CCN

InChI

InChI=1S/C16H22N4O2S/c1-4-19-14(8-9-17)18-15(11(2)3)16(19)23-13-7-5-6-12(10-13)20(21)22/h5-7,10-11H,4,8-9,17H2,1-3H3