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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4S2/c1-20-6-10(17)13-11-14-15-12(22-11)21-7-8-3-2-4-9(5-8)16(18)19/h2-5H,6-7H2,1H3,(H,13,14,17)