N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S2/c1-16-13-19(26(24-16)17-7-3-2-4-8-17)23-20(27)15-30-21-10-9-18(14-22-21)31(28,29)25-11-5-6-12-25/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,23,27)