N-[5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Openeye Name: N-[5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide CAS Name: N-[5-[(2-chloro-6-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide IUPAC Name: N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide Traditional Name: N-[5-[(2-chloro-6-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Formula: C17H13ClN4O4S2 MolecularWeight: 436.89252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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