3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]propanoic acid

Systemtic Name: 3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]propanoic acid Openeye Name: 3-[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(3-pyridylmethyl)imidazol-2-yl]propanoic acid CAS Name: 3-[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(3-pyridinylmethyl)-2-imidazolyl]propanoic acid IUPAC Name: 3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]propanoic acid Traditional Name: 3-[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(3-pyridylmethyl)imidazol-2-yl]propionic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CCC(=O)O)CC2=CN=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CCC(=O)O)CC2=CN=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-14(2)20-21(30-17-7-3-6-16(11-17)25(28)29)24(13-15-5-4-10-22-12-15)18(23-20)8-9-19(26)27/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,26,27)