N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-triazole-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyltriazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-triazole-4-carboxamide Formula: C20H20BrN5O2 MolecularWeight: 442.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CN(N=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CN(N=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H20BrN5O2/c1-14-10-16(21)8-9-17(14)22-19(27)13-25(2)20(28)18-12-26(24-23-18)11-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3,(H,22,27)