[4-(4-nitrophenyl)sulfanylphenyl]methyl pyrazine-2-carboxylate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl pyrazine-2-carboxylate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=NC=CN=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=NC=CN=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S/c22-18(17-11-19-9-10-20-17)25-12-13-1-5-15(6-2-13)26-16-7-3-14(4-8-16)21(23)24/h1-11H,12H2