N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(3,5-dimethyl-1-pyrazolyl)propanamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propionamide Formula: C17H20ClN3OS MolecularWeight: 349.8782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)C

InChI

InChI=1S/C17H20ClN3OS/c1-11-9-12(2)21(20-11)7-5-17(22)19-15-6-8-23-16-4-3-13(18)10-14(15)16/h3-4,9-10,15H,5-8H2,1-2H3,(H,19,22)