[4-(2-chloranyl-4-nitro-phenyl)sulfanylphenyl]methyl pyrazine-2-carboxylate

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)sulfanylphenyl]methyl pyrazine-2-carboxylate Openeye Name: [4-(2-chloro-4-nitro-phenyl)sulfanylphenyl]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-[(2-chloro-4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(2-chloro-4-nitrophenyl)sulfanylphenyl]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-[(2-chloro-4-nitro-phenyl)thio]benzyl] ester Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O4S/c19-15-9-13(22(24)25)3-6-17(15)27-14-4-1-12(2-5-14)11-26-18(23)16-10-20-7-8-21-16/h1-10H,11H2