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

Systemtic Name: methyl 2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H11N3O2S2 MolecularWeight: 281.35394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O2S2/c1-16-10(15)7-18-11-12-9(13-14-11)5-4-8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13,14)/b5-4+