5-(4-nitrophenyl)-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

Systemtic Name: 5-(4-nitrophenyl)-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide Openeye Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-5-(4-nitrophenyl)furan-2-carboxamide CAS Name: 5-(4-nitrophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-2-furancarboxamide IUPAC Name: 5-(4-nitrophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide Traditional Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-5-(4-nitrophenyl)-2-furamide Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O5S/c1-9(21)8-14-17-16(26-19-14)18-15(22)13-7-6-12(25-13)10-2-4-11(5-3-10)20(23)24/h2-7H,8H2,1H3,(H,17,18,19,22)