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

Systemtic Name: 3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propan-1-ol Openeye Name: 3-[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(4-pyridylmethyl)imidazol-2-yl]propan-1-ol CAS Name: 3-[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-2-imidazolyl]-1-propanol IUPAC Name: 3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propan-1-ol Traditional Name: 3-[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(4-pyridylmethyl)imidazol-2-yl]propan-1-ol Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-15(2)20-21(29-18-6-3-5-17(13-18)25(27)28)24(19(23-20)7-4-12-26)14-16-8-10-22-11-9-16/h3,5-6,8-11,13,15,26H,4,7,12,14H2,1-2H3