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

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(2-anilino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[5-[(2-anilino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[5-[(2-anilino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C19H17N5O6S2 MolecularWeight: 475.49818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17N5O6S2/c1-29-14-8-12(13(24(27)28)9-15(14)30-2)17(26)21-18-22-23-19(32-18)31-10-16(25)20-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,26)