N-(4-bromanyl-2,6-dimethyl-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2,6-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-2,6-dimethyl-phenyl)acetamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2,6-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-2,6-dimethyl-phenyl)acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C)Br

InChI

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