5-(3,4-dimethylphenyl)-2,4-diphenyl-1,3,4-thiadiazin-3-ium bromide

Systemtic Name: 5-(3,4-dimethylphenyl)-2,4-diphenyl-1,3,4-thiadiazin-3-ium bromide Openeye Name: 5-(3,4-dimethylphenyl)-2,4-diphenyl-1,3,4-thiadiazin-3-ium bromide CAS Name: 5-(3,4-dimethylphenyl)-2,4-diphenyl-1,3,4-thiadiazin-3-ium bromide IUPAC Name: 5-(3,4-dimethylphenyl)-2,4-diphenyl-1,3,4-thiadiazin-3-ium bromide Traditional Name: 5-(3,4-dimethylphenyl)-2,4-diphenyl-1,3,4-thiadiazin-3-ium bromide Formula: C23H21BrN2S MolecularWeight: 437.39524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=[NH+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=[NH+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C23H20N2S.BrH/c1-17-13-14-20(15-18(17)2)22-16-26-23(19-9-5-3-6-10-19)24-25(22)21-11-7-4-8-12-21;/h3-16H,1-2H3;1H