(4-methyl-3-nitro-phenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[2-(3-pyridylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[2-(3-pyridinylmethylthio)-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[2-(3-pyridylmethylthio)-2-imidazolin-1-yl]methanone Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-12-4-5-14(9-15(12)21(23)24)16(22)20-8-7-19-17(20)25-11-13-3-2-6-18-10-13/h2-6,9-10H,7-8,11H2,1H3