N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)thio]propionamide Formula: C12H12N4O3S2 MolecularWeight: 324.37868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S2/c1-7(11(17)13-12-15-14-8(2)21-12)20-10-5-3-9(4-6-10)16(18)19/h3-7H,1-2H3,(H,13,15,17)