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

Systemtic Name: 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyrazine Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CN=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CN=C3

InChI

InChI=1S/C14H12N6O2S/c1-19-13(12-8-15-6-7-16-12)17-18-14(19)23-9-10-2-4-11(5-3-10)20(21)22/h2-8H,9H2,1H3