N-(3,4-dihydro-2H-thiochromen-4-yl)-1,3,5-trimethyl-pyrazole-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1,3,5-trimethyl-pyrazole-4-carboxamide Openeye Name: 1,3,5-trimethyl-N-thiochroman-4-yl-pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1,3,5-trimethyl-4-pyrazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide Traditional Name: 1,3,5-trimethyl-N-thiochroman-4-yl-pyrazole-4-carboxamide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)NC2CCSC3=CC=CC=C23

InChI

InChI=1S/C16H19N3OS/c1-10-15(11(2)19(3)18-10)16(20)17-13-8-9-21-14-7-5-4-6-12(13)14/h4-7,13H,8-9H2,1-3H3,(H,17,20)