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

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17BrN4OS/c1-12-8-15(19)16(9-13(12)2)21-17(24)10-25-18-20-11-23(22-18)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,21,24)