4-methylsulfonyl-2-nitro-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(2-pyrazol-1-yl-4-pyridyl)methyl]amine Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S/c1-26(24,25)13-3-4-14(15(10-13)21(22)23)18-11-12-5-7-17-16(9-12)20-8-2-6-19-20/h2-10,18H,11H2,1H3