3,4-dimethoxy-N-[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4-dimethoxy-N-[5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-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=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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