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

Systemtic Name: N-[5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[(2-chloro-6-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[5-[(2-chloro-6-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Formula: C18H15ClN4O5S2 MolecularWeight: 466.9185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15ClN4O5S2/c1-27-14-7-6-10(8-15(14)28-2)16(24)20-17-21-22-18(30-17)29-9-11-12(19)4-3-5-13(11)23(25)26/h3-8H,9H2,1-2H3,(H,20,21,24)