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

Systemtic Name: 2-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-nitrobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine Formula: C20H16N6O2S MolecularWeight: 404.44504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CN=C4

InChI

InChI=1S/C20H16N6O2S/c1-14-2-6-16(7-3-14)25-19(18-12-21-10-11-22-18)23-24-20(25)29-13-15-4-8-17(9-5-15)26(27)28/h2-12H,13H2,1H3