1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

Systemtic Name: 1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Openeye Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-(3,5-dimethylpyrazol-1-yl)ethanone Formula: C18H20BrN5OS MolecularWeight: 434.3533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)C

InChI

InChI=1S/C18H20BrN5OS/c1-12-9-13(2)24(21-12)11-17(25)22-5-7-23(8-6-22)18-20-15-4-3-14(19)10-16(15)26-18/h3-4,9-10H,5-8,11H2,1-2H3