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

Systemtic Name: 2-[4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[4-(4-methylphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=NC=CN=C4

InChI

InChI=1S/C21H19N5S/c1-15-7-9-18(10-8-15)26-20(19-13-22-11-12-23-19)24-25-21(26)27-14-17-6-4-3-5-16(17)2/h3-13H,14H2,1-2H3