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

Systemtic Name: 5-chloranyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-[(4S)-thiochroman-4-yl]pyrazole-4-carboxamide CAS Name: 5-chloro-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-[(4S)-thiochroman-4-yl]pyrazole-4-carboxamide Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2CCSC3=CC=CC=C23)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N[C@H]2CCSC3=CC=CC=C23)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN3OS/c1-13-18(19(21)24(23-13)14-7-3-2-4-8-14)20(25)22-16-11-12-26-17-10-6-5-9-15(16)17/h2-10,16H,11-12H2,1H3,(H,22,25)/t16-/m0/s1