5-azanyl-1-[(2,5-dimethylphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(2,5-dimethylphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(2,5-dimethylphenyl)methyl]-N-(4-isopropylphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(2,5-dimethylphenyl)methyl]-N-(4-propan-2-ylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(2,5-dimethylphenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(2,5-dimethylbenzyl)-N-p-cumenyl-triazole-4-carboxamide Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)C(C)C)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)C(C)C)N

InChI

InChI=1S/C21H25N5O/c1-13(2)16-7-9-18(10-8-16)23-21(27)19-20(22)26(25-24-19)12-17-11-14(3)5-6-15(17)4/h5-11,13H,12,22H2,1-4H3,(H,23,27)