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

Systemtic Name: methyl 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C19H15N3O3S2/c1-24-18(23)16-13(9-10-25-16)12-27-19-21-20-17(15-8-5-11-26-15)22(19)14-6-3-2-4-7-14/h2-11H,12H2,1H3