2-chloranyl-N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-chloro-N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-chloro-N-[5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-chloro-N-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-chloro-N-[5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H13ClN4O4S2 MolecularWeight: 436.89252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H13ClN4O4S2/c1-26-14-7-6-11(22(24)25)8-10(14)9-27-17-21-20-16(28-17)19-15(23)12-4-2-3-5-13(12)18/h2-8H,9H2,1H3,(H,19,20,23)