N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-3-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC3=C(N(N=C3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC3=C(N(N=C3C)C)C)C

InChI

InChI=1S/C23H27N3OS/c1-15-6-12-22(16(2)14-15)28-20-9-7-19(8-10-20)24-23(27)13-11-21-17(3)25-26(5)18(21)4/h6-10,12,14H,11,13H2,1-5H3,(H,24,27)