methyl 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl 3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

COC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C16H15N3O2S2/c1-21-14(20)9-11-23-16-18-17-15(13-8-5-10-22-13)19(16)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3