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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C23H20BrN5OS MolecularWeight: 494.4068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4)Br

InChI

InChI=1S/C23H20BrN5OS/c1-16-12-13-20(19(24)14-16)26-21(30)15-31-23-28-27-22(25-17-8-4-2-5-9-17)29(23)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,25,27)(H,26,30)