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

Systemtic Name: methyl 3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]propanoate Openeye Name: methyl 3-[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(3-pyridylmethyl)imidazol-2-yl]propanoate CAS Name: 3-[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(3-pyridinylmethyl)-2-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]propanoate Traditional Name: 3-[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(3-pyridylmethyl)imidazol-2-yl]propionic acid methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-15(2)21-22(31-18-8-4-7-17(12-18)26(28)29)25(14-16-6-5-11-23-13-16)19(24-21)9-10-20(27)30-3/h4-8,11-13,15H,9-10,14H2,1-3H3