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

Systemtic Name: 2-methyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 2-methyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 2-methyl-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-methyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 2-methyl-N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S2/c1-8(2)11(18)14-12-15-16-13(22-12)21-7-9-3-5-10(6-4-9)17(19)20/h3-6,8H,7H2,1-2H3,(H,14,15,18)