1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-phenyl-butan-1-one

Systemtic Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-phenyl-butan-1-one Openeye Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one CAS Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-phenyl-1-butanone IUPAC Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-phenylbutan-1-one Traditional Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C(CC)C3=CC=CC=C3

InChI

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