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

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18BrN5OS MolecularWeight: 432.33742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C18H18BrN5OS/c1-11-8-14(19)15(9-12(11)2)21-16(25)10-26-18-23-22-17(24(18)3)13-4-6-20-7-5-13/h4-9H,10H2,1-3H3,(H,21,25)