1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-triazole-4-carboxamide CAS Name: 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-4-triazolecarboxamide IUPAC Name: 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyltriazole-4-carboxamide Traditional Name: 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-triazole-4-carboxamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=CC=C3C#N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=CC=C3C#N)C

InChI

InChI=1S/C21H21N5O/c1-3-4-7-16-10-12-18(13-11-16)26-15(2)20(24-25-26)21(27)23-19-9-6-5-8-17(19)14-22/h5-6,8-13H,3-4,7H2,1-2H3,(H,23,27)