butyl 2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=N1)C=CC2=CC=CS2

Isomeric SMILES

CCCCOC(=O)CSC1=NNC(=N1)/C=C/C2=CC=CS2

InChI

InChI=1S/C14H17N3O2S2/c1-2-3-8-19-13(18)10-21-14-15-12(16-17-14)7-6-11-5-4-9-20-11/h4-7,9H,2-3,8,10H2,1H3,(H,15,16,17)/b7-6+