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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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