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

Systemtic Name: 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H15F3N6OS MolecularWeight: 456.44361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)C4=NC=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)C4=NC=CN=C4

InChI

InChI=1S/C21H15F3N6OS/c22-21(23,24)15-8-4-5-9-16(15)27-18(31)13-32-20-29-28-19(17-12-25-10-11-26-17)30(20)14-6-2-1-3-7-14/h1-12H,13H2,(H,27,31)