5-azanyl-1-[(3-bromanyl-4-methoxy-phenyl)methyl]-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(3-bromanyl-4-methoxy-phenyl)methyl]-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(3-bromo-4-methoxy-phenyl)methyl]-N-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(3-bromo-4-methoxy-benzyl)-N-[3-(methylthio)phenyl]triazole-4-carboxamide Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)SC)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)SC)N)Br

InChI

InChI=1S/C18H18BrN5O2S/c1-26-15-7-6-11(8-14(15)19)10-24-17(20)16(22-23-24)18(25)21-12-4-3-5-13(9-12)27-2/h3-9H,10,20H2,1-2H3,(H,21,25)