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

Systemtic Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O2S/c1-5-6-13-26-20-22-18(15-9-11-16(12-10-15)21(2,3)4)24(23-20)19(25)17-8-7-14-27-17/h7-12,14H,5-6,13H2,1-4H3