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

Systemtic Name: 5-(4-methoxy-2-nitro-phenyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-methoxy-2-nitro-phenyl)furan-2-carboxamide CAS Name: 5-(4-methoxy-2-nitrophenyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-furancarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-(4-methoxy-2-nitro-phenyl)-2-furamide Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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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)SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S2/c1-29-14-7-8-15(16(11-14)25(27)28)17-9-10-18(30-17)19(26)22-20-23-24-21(32-20)31-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,23,26)