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

Systemtic Name: propan-2-yl 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S2/c1-15(2)25-19(24)14-27-20-22-21-18(13-17-9-6-12-26-17)23(20)11-10-16-7-4-3-5-8-16/h3-9,12,15H,10-11,13-14H2,1-2H3