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

Systemtic Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-bromophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-bromobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine Formula: C20H16BrN5S MolecularWeight: 438.34354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=NC=CN=C4

InChI

InChI=1S/C20H16BrN5S/c1-14-2-8-17(9-3-14)26-19(18-12-22-10-11-23-18)24-25-20(26)27-13-15-4-6-16(21)7-5-15/h2-12H,13H2,1H3