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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC)Br

InChI

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