N-(1,3-benzothiazol-2-ylmethyl)-5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-13-7-9-15(10-8-13)12-26-20(22)19(14(2)25-26)21(27)23-11-18-24-16-5-3-4-6-17(16)28-18/h3-10H,11-12H2,1-2H3,(H,23,27)