2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(hydroxymethyl)-1-(p-tolylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[1-(4-methylbenzyl)-4-methylol-imidazol-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CO

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CO

InChI

InChI=1S/C20H20N4O4S/c1-14-5-7-15(8-6-14)10-23-11-17(12-25)22-20(23)29-13-19(26)21-16-3-2-4-18(9-16)24(27)28/h2-9,11,25H,10,12-13H2,1H3,(H,21,26)