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

Systemtic Name: 2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c24-12-16-11-22(10-14-5-2-1-3-6-14)19(21-16)28-13-18(25)20-15-7-4-8-17(9-15)23(26)27/h1-9,11,24H,10,12-13H2,(H,20,25)