N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C19H15BrN4OS MolecularWeight: 427.3176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15BrN4OS/c1-12-15(10-22-24(12)14-8-6-13(20)7-9-14)19(25)21-11-18-23-16-4-2-3-5-17(16)26-18/h2-10H,11H2,1H3,(H,21,25)