ethyl (3S)-4-tert-butyl-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl (3S)-4-tert-butyl-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl (3S)-4-tert-butyl-2-phenyl-3-(2-thienyl)-3H-1,2,4-triazole-5-carboxylate CAS Name: (3S)-4-tert-butyl-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-tert-butyl-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate Traditional Name: (3S)-4-tert-butyl-2-phenyl-3-(2-thienyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N1C(C)(C)C)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN([C@H](N1C(C)(C)C)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S/c1-5-24-18(23)16-20-22(14-10-7-6-8-11-14)17(15-12-9-13-25-15)21(16)19(2,3)4/h6-13,17H,5H2,1-4H3/t17-/m0/s1