1-methyl-N-(3-methylsulfanylphenyl)-4-nitro-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-(3-methylsulfanylphenyl)-4-nitro-pyrrole-2-carboxamide Openeye Name: 1-methyl-N-(3-methylsulfanylphenyl)-4-nitro-pyrrole-2-carboxamide CAS Name: 1-methyl-N-[3-(methylthio)phenyl]-4-nitro-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-(3-methylsulfanylphenyl)-4-nitropyrrole-2-carboxamide Traditional Name: 1-methyl-N-[3-(methylthio)phenyl]-4-nitro-pyrrole-2-carboxamide Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-15-8-10(16(18)19)7-12(15)13(17)14-9-4-3-5-11(6-9)20-2/h3-8H,1-2H3,(H,14,17)