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

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S2/c1-8-15-16-13(23-8)14-12(18)7-22-6-9-3-4-11(21-2)10(5-9)17(19)20/h3-5H,6-7H2,1-2H3,(H,14,16,18)