3-[4,5-bis(azanyl)-1,2,4-triazol-3-yl]-N-(2-tert-butyl-6-methyl-phenyl)propanamide

Systemtic Name: 3-[4,5-bis(azanyl)-1,2,4-triazol-3-yl]-N-(2-tert-butyl-6-methyl-phenyl)propanamide Openeye Name: N-(2-tert-butyl-6-methyl-phenyl)-3-(4,5-diamino-1,2,4-triazol-3-yl)propanamide CAS Name: N-(2-tert-butyl-6-methylphenyl)-3-(4,5-diamino-1,2,4-triazol-3-yl)propanamide IUPAC Name: N-(2-tert-butyl-6-methylphenyl)-3-(4,5-diamino-1,2,4-triazol-3-yl)propanamide Traditional Name: N-(2-tert-butyl-6-methyl-phenyl)-3-(4,5-diamino-1,2,4-triazol-3-yl)propionamide Formula: C16H24N6O MolecularWeight: 316.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NN=C(N2N)N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NN=C(N2N)N

InChI

InChI=1S/C16H24N6O/c1-10-6-5-7-11(16(2,3)4)14(10)19-13(23)9-8-12-20-21-15(17)22(12)18/h5-7H,8-9,18H2,1-4H3,(H2,17,21)(H,19,23)