4-tert-butyl-N-(6-chloranyl-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

Systemtic Name: 4-tert-butyl-N-(6-chloranyl-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide Openeye Name: 4-tert-butyl-N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide CAS Name: 4-tert-butyl-N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide IUPAC Name: 4-tert-butyl-N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide Traditional Name: 4-tert-butyl-N-(6-chloro-7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=C(N2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=C(N2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C17H18ClN5O2/c1-9-12(18)14(25)23-16(19-9)21-15(22-23)20-13(24)10-5-7-11(8-6-10)17(2,3)4/h5-8H,1-4H3,(H2,19,20,21,22,24)