4-[[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[5-(bromomethyl)-4,5-dihydrothiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[5-(bromomethyl)-4,5-dihydrothiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[5-(bromomethyl)-2-thiazolin-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C15H18BrN4OS+ MolecularWeight: 382.29862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]CC(S3)CBr

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]CC(S3)CBr

InChI

InChI=1S/C15H17BrN4OS/c1-10-13(18-15-17-9-12(8-16)22-15)14(21)20(19(10)2)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,17,18)/p+1