(4-tert-butylphenyl)-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone

Systemtic Name: (4-tert-butylphenyl)-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Openeye Name: (4-tert-butylphenyl)-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone IUPAC Name: (4-tert-butylphenyl)-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Traditional Name: (4-tert-butylphenyl)-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H23N3O2S/c1-5-12-25-19-21-17(16-7-6-13-26-16)23(22-19)18(24)14-8-10-15(11-9-14)20(2,3)4/h6-11,13H,5,12H2,1-4H3