N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)thio]acetamide Formula: C13H12N4O3S2 MolecularWeight: 336.38938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S2/c18-11(14-13-16-15-12(22-13)8-1-2-8)7-21-10-5-3-9(4-6-10)17(19)20/h3-6,8H,1-2,7H2,(H,14,16,18)