N-methylsulfonyl-3-nitro-4-pyridin-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

Systemtic Name: N-methylsulfonyl-3-nitro-4-pyridin-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Openeye Name: N-methylsulfonyl-3-nitro-4-(2-pyridylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide CAS Name: N-methylsulfonyl-3-nitro-4-(2-pyridinylthio)-N-(1,3,5-trimethyl-4-pyrazolyl)benzamide IUPAC Name: N-methylsulfonyl-3-nitro-4-pyridin-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Traditional Name: N-mesyl-3-nitro-4-(2-pyridylthio)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N(C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C19H19N5O5S2/c1-12-18(13(2)22(3)21-12)23(31(4,28)29)19(25)14-8-9-16(15(11-14)24(26)27)30-17-7-5-6-10-20-17/h5-11H,1-4H3