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

Systemtic Name: 5-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-(p-tolylmethyl)-N-thiochroman-4-yl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)-N-thiochroman-4-yl-pyrazole-4-carboxamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3CCSC4=CC=CC=C34)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3CCSC4=CC=CC=C34)Cl

InChI

InChI=1S/C22H22ClN3OS/c1-14-7-9-16(10-8-14)13-26-21(23)20(15(2)25-26)22(27)24-18-11-12-28-19-6-4-3-5-17(18)19/h3-10,18H,11-13H2,1-2H3,(H,24,27)