N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: 3-(1-phenylpyrazol-4-yl)-N-thiochroman-4-yl-propanamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: 3-(1-phenylpyrazol-4-yl)-N-thiochroman-4-yl-propionamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-21(23-19-12-13-26-20-9-5-4-8-18(19)20)11-10-16-14-22-24(15-16)17-6-2-1-3-7-17/h1-9,14-15,19H,10-13H2,(H,23,25)