5-(4-chlorophenyl)-3-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine bromide

Systemtic Name: 5-(4-chlorophenyl)-3-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine bromide Openeye Name: 3-benzyl-5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-3-ium-2-amine bromide CAS Name: 5-(4-chlorophenyl)-3-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine bromide IUPAC Name: 3-benzyl-5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-3-ium-2-amine bromide Traditional Name: [3-benzyl-5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-3-ium-2-yl]amine bromide Formula: C16H15BrClN3S MolecularWeight: 396.7324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=N[N+](=C(S1)N)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1C(=N[N+](=C(S1)N)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C16H14ClN3S.BrH/c17-14-8-6-13(7-9-14)15-11-21-16(18)20(19-15)10-12-4-2-1-3-5-12;/h1-9,18H,10-11H2;1H