4-[[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one

Systemtic Name: 4-[[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one Openeye Name: 4-[[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one CAS Name: 4-[[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,1,5-trimethyl-2-phenyl-3-pyrazol-1-iumone IUPAC Name: 4-[[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,1,5-trimethyl-2-phenylpyrazol-1-ium-3-one Traditional Name: 4-[[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,1,5-trimethyl-2-phenyl-3-pyrazolin-1-ium-3-one Formula: C21H21BrN5OS+ MolecularWeight: 471.39334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N([N+]1(C)C)C2=CC=CC=C2)NC3=NN=C(CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=O)N([N+]1(C)C)C2=CC=CC=C2)NC3=NN=C(CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN5OS/c1-14-19(20(28)26(27(14,2)3)17-10-5-4-6-11-17)23-21-25-24-18(13-29-21)15-8-7-9-16(22)12-15/h4-12H,13H2,1-3H3,(H,23,25)/q+1