(4-tert-butylphenyl)-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[3-(2-ethoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[3-(2-ethoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-26-12-13-27-20-22-18(17-7-6-14-28-17)24(23-20)19(25)15-8-10-16(11-9-15)21(2,3)4/h6-11,14H,5,12-13H2,1-4H3