N-butyl-2-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-imine bromide

Systemtic Name: N-butyl-2-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-imine bromide Openeye Name: N-butyl-2-(m-tolyl)-3-phenyl-1,2,4-thiadiazol-5-imine bromide CAS Name: N-butyl-2-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-imine bromide IUPAC Name: N-butyl-2-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-imine bromide Traditional Name: butyl-[2-(m-tolyl)-3-phenyl-1,2,4-thiadiazol-5-ylidene]amine bromide Formula: C19H21BrN3S- MolecularWeight: 403.35914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N=C(N(S1)C2=CC=CC(=C2)C)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCN=C1N=C(N(S1)C2=CC=CC(=C2)C)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H21N3S.BrH/c1-3-4-13-20-19-21-18(16-10-6-5-7-11-16)22(23-19)17-12-8-9-15(2)14-17;/h5-12,14H,3-4,13H2,1-2H3;1H/p-1