N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: 4-methoxy-1-phenyl-N-thiochroman-4-yl-pyrazole-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: 4-methoxy-1-phenyl-N-thiochroman-4-yl-pyrazole-3-carboxamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2CCSC3=CC=CC=C23)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2CCSC3=CC=CC=C23)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S/c1-25-17-13-23(14-7-3-2-4-8-14)22-19(17)20(24)21-16-11-12-26-18-10-6-5-9-15(16)18/h2-10,13,16H,11-12H2,1H3,(H,21,24)