4-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(4-bromobenzyl)pyrazol-3-yl]butyramide Formula: C21H19BrN4OS MolecularWeight: 455.37076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4OS/c22-16-10-8-15(9-11-16)14-26-19(12-13-23-26)25-20(27)6-3-7-21-24-17-4-1-2-5-18(17)28-21/h1-2,4-5,8-13H,3,6-7,14H2,(H,25,27)