2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(oxolan-2-ylmethyl)-5-phenyl-imidazole

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(oxolan-2-ylmethyl)-5-phenyl-imidazole Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazole CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]-1-(2-oxolanylmethyl)-5-phenylimidazole IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1-(oxolan-2-ylmethyl)-5-phenylimidazole Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-5-phenyl-1-(tetrahydrofurfuryl)imidazole Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-31(27,28)17-9-10-20(18(12-17)24(25)26)30-21-22-13-19(15-6-3-2-4-7-15)23(21)14-16-8-5-11-29-16/h2-4,6-7,9-10,12-13,16H,5,8,11,14H2,1H3