N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-cyano-benzamide

Systemtic Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-cyano-benzamide Openeye Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-cyano-benzamide CAS Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-cyanobenzamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-cyanobenzamide Traditional Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-3-cyano-benzamide Formula: C20H19N5O MolecularWeight: 345.39776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N5O/c1-20(2,3)16-9-7-14(8-10-16)17-22-19(25-24-17)23-18(26)15-6-4-5-13(11-15)12-21/h4-11H,1-3H3,(H2,22,23,24,25,26)