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

Systemtic Name: N-[[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl]ethanamide Openeye Name: N-[[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl]acetamide CAS Name: N-[[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-2-imidazolyl]methyl]acetamide IUPAC Name: N-[[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl]acetamide Traditional Name: N-[[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(4-pyridylmethyl)imidazol-2-yl]methyl]acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-14(2)20-21(30-18-6-4-5-17(11-18)26(28)29)25(13-16-7-9-22-10-8-16)19(24-20)12-23-15(3)27/h4-11,14H,12-13H2,1-3H3,(H,23,27)