1-(2-butyl-1-benzofuran-3-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(2-butyl-1-benzofuran-3-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine Openeye Name: 1-(2-butylbenzofuran-3-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine CAS Name: 1-(2-butyl-3-benzofuranyl)-N-[3-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(2-butyl-1-benzofuran-3-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine Traditional Name: (Z)-(2-butylbenzofuran-3-yl)methylene-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]amine Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C=NN3C=NN=C3N4C(=CC(=N4)C)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)/C=N\N3C=NN=C3N4C(=CC(=N4)C)C

InChI

InChI=1S/C20H22N6O/c1-4-5-9-19-17(16-8-6-7-10-18(16)27-19)12-22-25-13-21-23-20(25)26-15(3)11-14(2)24-26/h6-8,10-13H,4-5,9H2,1-3H3/b22-12-