2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]acetamide Formula: C16H14BrN5OS MolecularWeight: 404.28426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CN=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CN=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H14BrN5OS/c1-11-6-12(17)2-4-14(11)24-8-16(23)21-13-3-5-15(19-7-13)22-10-18-9-20-22/h2-7,9-10H,8H2,1H3,(H,21,23)