methyl 2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CSC2=NNC(=N2)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(OC=C1)CSC2=NNC(=N2)/C=C/C3=CC=CS3

InChI

InChI=1S/C15H13N3O3S2/c1-20-14(19)11-6-7-21-12(11)9-23-15-16-13(17-18-15)5-4-10-3-2-8-22-10/h2-8H,9H2,1H3,(H,16,17,18)/b5-4+