N-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: N-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-[5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-[5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-[5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: N-[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C13H12N4O4S2 MolecularWeight: 352.38878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4S2/c1-2-11(19)14-12-15-16-13(23-12)22-7-10(18)8-4-3-5-9(6-8)17(20)21/h3-6H,2,7H2,1H3,(H,14,15,19)