3-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3OS/c1-17-9-10-21(13-18(17)2)27-12-11-22(26)24(3)15-19-14-23-25(16-19)20-7-5-4-6-8-20/h4-10,13-14,16H,11-12,15H2,1-3H3