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

Systemtic Name: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Formula: C19H14N6O2S MolecularWeight: 390.41846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N6O2S/c26-25(27)16-8-6-14(7-9-16)13-28-19-23-22-18(17-12-20-10-11-21-17)24(19)15-4-2-1-3-5-15/h1-12H,13H2