N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-N-thiochroman-4-yl-benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)C

InChI

InChI=1S/C21H21N3OS/c1-14-13-15(2)24(23-14)17-9-7-16(8-10-17)21(25)22-19-11-12-26-20-6-4-3-5-18(19)20/h3-10,13,19H,11-12H2,1-2H3,(H,22,25)