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

Systemtic Name: N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4S2/c1-25-14-8-7-13(21(23)24)9-12(14)10-26-17-20-19-16(27-17)18-15(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,22)