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

Systemtic Name: 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C13H13N5O5S2 MolecularWeight: 383.40282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5S2/c1-7(19)14-12-16-17-13(25-12)24-6-11(20)15-9-4-3-8(23-2)5-10(9)18(21)22/h3-5H,6H2,1-2H3,(H,15,20)(H,14,16,19)