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

Systemtic Name: 2,2-dimethyl-N-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 2,2-dimethyl-N-[5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 2,2-dimethyl-N-[5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2,2-dimethyl-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]-2,2-dimethyl-propionamide Formula: C15H16N4O4S2 MolecularWeight: 380.44194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O4S2/c1-15(2,3)12(21)16-13-17-18-14(25-13)24-8-11(20)9-5-4-6-10(7-9)19(22)23/h4-7H,8H2,1-3H3,(H,16,17,21)