methyl (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2CCCC2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NN=C(N1C2CCCC2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H29N3O2S/c1-14(19(25)26-5)27-20-23-22-18(24(20)17-8-6-7-9-17)15-10-12-16(13-11-15)21(2,3)4/h10-14,17H,6-9H2,1-5H3/t14-/m1/s1