2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-(3-nitrophenyl)-1-phenyl-2-imidazolyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[4-(3-nitrophenyl)-1-phenylimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]thio]acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NC(=CN1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NC(=CN1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-2-11-22-20(28)24-19(27)14-31-21-23-18(13-25(21)16-8-4-3-5-9-16)15-7-6-10-17(12-15)26(29)30/h2-10,12-13H,1,11,14H2,(H2,22,24,27,28)