N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-phenylpropylsulfanyl)propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-phenylpropylsulfanyl)propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-phenylpropylsulfanyl)propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(3-phenylpropylthio)propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-phenylpropylsulfanyl)propanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(3-phenylpropylthio)propionamide 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)CCSCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCCCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-18-22(23(28)26(25(18)2)20-13-7-4-8-14-20)24-21(27)15-17-29-16-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-14H,9,12,15-17H2,1-2H3,(H,24,27)