5-(4-methoxy-2-nitro-phenyl)-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

Systemtic Name: 5-(4-methoxy-2-nitro-phenyl)-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide Openeye Name: 5-(4-methoxy-2-nitro-phenyl)-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide CAS Name: 5-(4-methoxy-2-nitrophenyl)-N-[5-(phenethylthio)-1,3,4-thiadiazol-2-yl]-2-furancarboxamide IUPAC Name: 5-(4-methoxy-2-nitrophenyl)-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide Traditional Name: 5-(4-methoxy-2-nitro-phenyl)-N-[5-(phenethylthio)-1,3,4-thiadiazol-2-yl]-2-furamide Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=NN=C(S3)SCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=NN=C(S3)SCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S2/c1-30-15-7-8-16(17(13-15)26(28)29)18-9-10-19(31-18)20(27)23-21-24-25-22(33-21)32-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,23,24,27)