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

Systemtic Name: 2-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(3-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(3-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyrazine Formula: C14H12BrN5S MolecularWeight: 362.24758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=NC=CN=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=NC=CN=C3

InChI

InChI=1S/C14H12BrN5S/c1-20-13(12-8-16-5-6-17-12)18-19-14(20)21-9-10-3-2-4-11(15)7-10/h2-8H,9H2,1H3