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

Systemtic Name: 2,2-dimethyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 2,2-dimethyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 2,2-dimethyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2,2-dimethyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 2,2-dimethyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c1-13(2,3)11(18)14-12-16-15-10(21-12)8-4-6-9(7-5-8)17(19)20/h4-7H,1-3H3,(H,14,16,18)