(2R)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-propanamide CAS Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(2,4,6-trimethylphenyl)thio]propanamide IUPAC Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide Traditional Name: (2R)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(mesitylthio)propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S[C@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C23H27N3O2S/c1-14-12-15(2)21(16(3)13-14)29-18(5)22(27)24-20-17(4)25(6)26(23(20)28)19-10-8-7-9-11-19/h7-13,18H,1-6H3,(H,24,27)/t18-/m1/s1