N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H27N3OS/c1-16-10-11-21(14-17(16)2)28-13-12-23(27)24-15-22-18(3)25-26(19(22)4)20-8-6-5-7-9-20/h5-11,14H,12-13,15H2,1-4H3,(H,24,27)