N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-13(2)20-16(12-24-26(20)19-5-3-4-9-23-19)21(27)25-17-8-10-28-18-7-6-14(22)11-15(17)18/h3-7,9,11-13,17H,8,10H2,1-2H3,(H,25,27)