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

Systemtic Name: 2-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine Formula: C20H17N5S MolecularWeight: 359.44748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5S/c1-15-7-9-17(10-8-15)25-19(18-13-21-11-12-22-18)23-24-20(25)26-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3