[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-thiomorpholin-4-yl-methanone

Systemtic Name: [4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-thiomorpholin-4-yl-methanone Openeye Name: [4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-thiomorpholino-methanone CAS Name: [4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]phenyl]-thiomorpholin-4-ylmethanone IUPAC Name: [4-[(5-methyl-3-nitropyrazol-1-yl)methyl]phenyl]-thiomorpholin-4-ylmethanone Traditional Name: [4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-thiomorpholino-methanone Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCSCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCSCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S/c1-12-10-15(20(22)23)17-19(12)11-13-2-4-14(5-3-13)16(21)18-6-8-24-9-7-18/h2-5,10H,6-9,11H2,1H3