3-(1H-imidazol-2-yl)-3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-pyridin-2-yl]propan-1-amine

Systemtic Name: 3-(1H-imidazol-2-yl)-3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-pyridin-2-yl]propan-1-amine Openeye Name: 3-(1H-imidazol-2-yl)-3-[4-isopropyl-5-(3-nitrophenyl)sulfanyl-2-pyridyl]propan-1-amine CAS Name: 3-(1H-imidazol-2-yl)-3-[5-[(3-nitrophenyl)thio]-4-propan-2-yl-2-pyridinyl]-1-propanamine IUPAC Name: 3-(1H-imidazol-2-yl)-3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-ylpyridin-2-yl]propan-1-amine Traditional Name: [3-(1H-imidazol-2-yl)-3-[4-isopropyl-5-[(3-nitrophenyl)thio]-2-pyridyl]propyl]amine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(CCN)C3=NC=CN3

Isomeric SMILES

CC(C)C1=CC(=NC=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(CCN)C3=NC=CN3

InChI

InChI=1S/C20H23N5O2S/c1-13(2)17-11-18(16(6-7-21)20-22-8-9-23-20)24-12-19(17)28-15-5-3-4-14(10-15)25(26)27/h3-5,8-13,16H,6-7,21H2,1-2H3,(H,22,23)