5-(4-chloranyl-2-nitro-phenyl)-2-methyl-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]furan-3-carboxamide

Systemtic Name: 5-(4-chloranyl-2-nitro-phenyl)-2-methyl-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]furan-3-carboxamide Openeye Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-5-(4-chloro-2-nitro-phenyl)-2-methyl-furan-3-carboxamide CAS Name: 5-(4-chloro-2-nitrophenyl)-2-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3-furancarboxamide IUPAC Name: 5-(4-chloro-2-nitrophenyl)-2-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-3-carboxamide Traditional Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-5-(4-chloro-2-nitro-phenyl)-2-methyl-3-furamide Formula: C17H13ClN4O5S MolecularWeight: 420.82692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=NC(=NS3)CC(=O)C

Isomeric SMILES

CC1=C(C=C(O1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=NC(=NS3)CC(=O)C

InChI

InChI=1S/C17H13ClN4O5S/c1-8(23)5-15-19-17(28-21-15)20-16(24)12-7-14(27-9(12)2)11-4-3-10(18)6-13(11)22(25)26/h3-4,6-7H,5H2,1-2H3,(H,19,20,21,24)