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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[4-(4-methylphenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H19BrN6OS MolecularWeight: 495.39486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Br)C)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Br)C)C4=NC=CN=C4

InChI

InChI=1S/C22H19BrN6OS/c1-14-3-6-17(7-4-14)29-21(19-12-24-9-10-25-19)27-28-22(29)31-13-20(30)26-16-5-8-18(23)15(2)11-16/h3-12H,13H2,1-2H3,(H,26,30)