N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(4S)-thiochroman-4-yl]propanamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(4S)-thiochroman-4-yl]propionamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C23H25N3OS/c1-16-19(17(2)26(25-16)18-8-4-3-5-9-18)12-13-23(27)24-21-14-15-28-22-11-7-6-10-20(21)22/h3-11,21H,12-15H2,1-2H3,(H,24,27)/t21-/m0/s1