ethyl 2-[[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C13H13N3O4S3 MolecularWeight: 371.45502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S3/c1-2-20-11(17)8-22-13-15-14-12(23-13)21-7-9-4-3-5-10(6-9)16(18)19/h3-6H,2,7-8H2,1H3