1-butyl-5-chloranyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-butyl-5-chloranyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-3-methyl-N-[(4S)-thiochroman-4-yl]pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-methyl-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-3-methyl-N-[(4S)-thiochroman-4-yl]pyrazole-4-carboxamide Formula: C18H22ClN3OS MolecularWeight: 363.90478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2CCSC3=CC=CC=C23)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N[C@H]2CCSC3=CC=CC=C23)Cl

InChI

InChI=1S/C18H22ClN3OS/c1-3-4-10-22-17(19)16(12(2)21-22)18(23)20-14-9-11-24-15-8-6-5-7-13(14)15/h5-8,14H,3-4,9-11H2,1-2H3,(H,20,23)/t14-/m0/s1