2-[[5-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-(4-benzoyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(4-benzoyl-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(4-benzoyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(4-benzoyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propyl-acetamide Formula: C20H18N4O4S3 MolecularWeight: 474.57632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S3/c1-2-10-21-17(25)12-29-19-22-23-20(31-19)30-16-9-8-14(11-15(16)24(27)28)18(26)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,21,25)