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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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