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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-[(4S)-thiochroman-4-yl]pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]pyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-[(4S)-thiochroman-4-yl]pyrazole-4-carboxamide Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H18ClN3OS/c21-17-7-3-1-5-14(17)12-24-13-15(11-22-24)20(25)23-18-9-10-26-19-8-4-2-6-16(18)19/h1-8,11,13,18H,9-10,12H2,(H,23,25)/t18-/m0/s1