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

Systemtic Name: 2-[[5-(2-cyano-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-(2-cyano-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(2-cyano-4-nitrophenyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(2-cyano-4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(2-cyano-4-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propyl-acetamide Formula: C14H13N5O3S3 MolecularWeight: 395.47972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S3/c1-2-5-16-12(20)8-23-13-17-18-14(25-13)24-11-4-3-10(19(21)22)6-9(11)7-15/h3-4,6H,2,5,8H2,1H3,(H,16,20)