2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-m-phenetyl-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C19H20BrN5O2S MolecularWeight: 462.3634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C19H20BrN5O2S/c1-3-27-14-6-4-5-13(10-14)18-23-24-19(25(18)21)28-11-17(26)22-16-8-7-12(2)9-15(16)20/h4-10H,3,11,21H2,1-2H3,(H,22,26)