2-[5-(hydroxymethyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[5-(hydroxymethyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[1-allyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(hydroxymethyl)-1-prop-2-enyl-2-imidazolyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[5-(hydroxymethyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(1-allyl-5-methylol-imidazol-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CO

Isomeric SMILES

C=CCN1C(=CN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C15H16N4O4S/c1-2-6-18-13(9-20)8-16-15(18)24-10-14(21)17-11-4-3-5-12(7-11)19(22)23/h2-5,7-8,20H,1,6,9-10H2,(H,17,21)