1-(2-bromophenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2-bromophenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-bromophenyl)-2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-bromophenyl)-2-[[4-(4-methylphenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-bromophenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-bromophenyl)-2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H16BrN5OS MolecularWeight: 466.35364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Br)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Br)C4=NC=CN=C4

InChI

InChI=1S/C21H16BrN5OS/c1-14-6-8-15(9-7-14)27-20(18-12-23-10-11-24-18)25-26-21(27)29-13-19(28)16-4-2-3-5-17(16)22/h2-12H,13H2,1H3