2-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propyl-acetamide Formula: C14H16N4O3S3 MolecularWeight: 384.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S3/c1-2-7-15-12(19)9-23-14-17-16-13(24-14)22-8-10-3-5-11(6-4-10)18(20)21/h3-6H,2,7-9H2,1H3,(H,15,19)