4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile; 2-propylpentanoic acid

Systemtic Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile; 2-propylpentanoic acid Openeye Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; 2-propylpentanoic acid CAS Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; 2-propylpentanoic acid IUPAC Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; 2-propylpentanoic acid Traditional Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; 2-propylvaleric acid Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)O.C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

Isomeric SMILES

CCCC(CCC)C(=O)O.C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

InChI

InChI=1S/C17H11N5.C8H16O2/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16;1-3-5-7(6-4-2)8(9)10/h1-8,11-12,17H;7H,3-6H2,1-2H3,(H,9,10)