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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide Openeye Name: 3-(3,5-dimethyl-1H-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-1H-pyrazol-4-yl)propanamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide Traditional Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4S)-thiochroman-4-yl]propionamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCC(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CC1=C(C(=NN1)C)CCC(=O)N[C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H21N3OS/c1-11-13(12(2)20-19-11)7-8-17(21)18-15-9-10-22-16-6-4-3-5-14(15)16/h3-6,15H,7-10H2,1-2H3,(H,18,21)(H,19,20)/t15-/m0/s1