methyl 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazole-4-carboxylate

Systemtic Name: methyl 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazole-4-carboxylate Openeye Name: methyl 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazole-4-carboxylate CAS Name: 3-methyl-2-[(4-nitrophenyl)methylthio]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazole-4-carboxylate Traditional Name: 3-methyl-2-[(4-nitrobenzyl)thio]imidazole-4-carboxylic acid methyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C(=CN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H13N3O4S/c1-15-11(12(17)20-2)7-14-13(15)21-8-9-3-5-10(6-4-9)16(18)19/h3-7H,8H2,1-2H3