N-methyl-2-(3-methylsulfanyl-4-nitro-pyrazol-1-yl)aniline

Systemtic Name: N-methyl-2-(3-methylsulfanyl-4-nitro-pyrazol-1-yl)aniline Openeye Name: N-methyl-2-(3-methylsulfanyl-4-nitro-pyrazol-1-yl)aniline CAS Name: N-methyl-2-[3-(methylthio)-4-nitro-1-pyrazolyl]aniline IUPAC Name: N-methyl-2-(3-methylsulfanyl-4-nitropyrazol-1-yl)aniline Traditional Name: methyl-[2-[3-(methylthio)-4-nitro-pyrazol-1-yl]phenyl]amine Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1N2C=C(C(=N2)SC)[N+](=O)[O-]

Isomeric SMILES

CNC1=CC=CC=C1N2C=C(C(=N2)SC)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c1-12-8-5-3-4-6-9(8)14-7-10(15(16)17)11(13-14)18-2/h3-7,12H,1-2H3