2-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Formula: C19H14BrN5S MolecularWeight: 424.31696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=NC=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=NC=CN=C4

InChI

InChI=1S/C19H14BrN5S/c20-15-8-6-14(7-9-15)13-26-19-24-23-18(17-12-21-10-11-22-17)25(19)16-4-2-1-3-5-16/h1-12H,13H2