4,5,6-trimethyl-2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-12-10-17(26(25-12)16-8-6-5-7-9-16)24-18(27)11-29-21-19(20(22)28)14(3)13(2)15(4)23-21/h5-10H,11H2,1-4H3,(H2,22,28)(H,24,27)