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

Systemtic Name: N-[5-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C17H11ClN4O4S2 MolecularWeight: 434.87664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClN4O4S2/c18-12-5-1-10(2-6-12)14(23)9-27-17-21-20-16(28-17)19-15(24)11-3-7-13(8-4-11)22(25)26/h1-8H,9H2,(H,19,20,24)