1-[1-methyl-5-(4-methylphenyl)sulfanyl-4-nitro-pyrrol-2-yl]ethanone

Systemtic Name: 1-[1-methyl-5-(4-methylphenyl)sulfanyl-4-nitro-pyrrol-2-yl]ethanone Openeye Name: 1-[1-methyl-4-nitro-5-(p-tolylsulfanyl)pyrrol-2-yl]ethanone CAS Name: 1-[1-methyl-5-[(4-methylphenyl)thio]-4-nitro-2-pyrrolyl]ethanone IUPAC Name: 1-[1-methyl-5-(4-methylphenyl)sulfanyl-4-nitropyrrol-2-yl]ethanone Traditional Name: 1-[1-methyl-4-nitro-5-(p-tolylthio)pyrrol-2-yl]ethanone Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(N2C)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(N2C)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O3S/c1-9-4-6-11(7-5-9)20-14-13(16(18)19)8-12(10(2)17)15(14)3/h4-8H,1-3H3