N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(4-propan-2-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(4-propan-2-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(4-isopropylphenyl)methylsulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(4-propan-2-ylphenyl)methylthio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-propan-2-ylphenyl)methylsulfanyl]acetamide Traditional Name: 2-[(4-isopropylbenzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H27N3O2S/c1-16(2)19-12-10-18(11-13-19)14-29-15-21(27)24-22-17(3)25(4)26(23(22)28)20-8-6-5-7-9-20/h5-13,16H,14-15H2,1-4H3,(H,24,27)