N-(2-bromanyl-4-methyl-phenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)C)Br)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)C)Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN4OS/c1-4-26-19(13-16-8-6-5-7-9-16)24-25-21(26)28-15(3)20(27)23-18-11-10-14(2)12-17(18)22/h5-12,15H,4,13H2,1-3H3,(H,23,27)