4,5-dimethoxy-2-nitro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H16N4O6S2 MolecularWeight: 460.48354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H16N4O6S2/c1-28-15-8-12(13(23(26)27)9-16(15)29-2)17(25)20-18-21-22-19(31-18)30-10-14(24)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,20,21,25)