N-(4-bromanyl-2,3-dimethyl-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2,3-dimethyl-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2,3-dimethyl-phenyl)acetamide CAS Name: N-(4-bromo-2,3-dimethylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2,3-dimethylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2,3-dimethyl-phenyl)acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrN4OS/c1-4-12-26-20(16-8-6-5-7-9-16)24-25-21(26)28-13-19(27)23-18-11-10-17(22)14(2)15(18)3/h4-11H,1,12-13H2,2-3H3,(H,23,27)