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

Systemtic Name: 1-(2-bromophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-bromophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-bromophenyl)-2-[[4-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-bromophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-bromophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H14BrN5OS MolecularWeight: 452.32706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN5OS/c21-16-9-5-4-8-15(16)18(27)13-28-20-25-24-19(17-12-22-10-11-23-17)26(20)14-6-2-1-3-7-14/h1-12H,13H2