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

Systemtic Name: methyl 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C17H17N3O2S2/c1-22-15(21)12-24-17-19-18-16(14-8-5-11-23-14)20(17)10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3