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

Systemtic Name: methyl 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C18H19N3O2S2/c1-23-17(22)13-25-18-20-19-16(12-15-8-5-11-24-15)21(18)10-9-14-6-3-2-4-7-14/h2-8,11H,9-10,12-13H2,1H3