butyl 2-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-nitro-2-thiophenyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid butyl ester Formula: C12H13N3O4S3 MolecularWeight: 359.44432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(S1)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(S1)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S3/c1-2-3-6-19-10(16)7-20-12-14-13-11(22-12)8-4-5-9(21-8)15(17)18/h4-5H,2-3,6-7H2,1H3