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

Systemtic Name: N-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-[5-[(4-methoxy-3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: N-[5-[(4-methoxy-3-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C12H12N4O4S2 MolecularWeight: 340.37808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S2/c1-7(17)13-11-14-15-12(22-11)21-6-8-3-4-10(20-2)9(5-8)16(18)19/h3-5H,6H2,1-2H3,(H,13,14,17)