3-phenyl-2-[4-(phenylmethyl)phenyl]-1,2,4-thiadiazol-2-ium-5-amine chloride

Systemtic Name: 3-phenyl-2-[4-(phenylmethyl)phenyl]-1,2,4-thiadiazol-2-ium-5-amine chloride Openeye Name: 2-(4-benzylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride CAS Name: 3-phenyl-2-[4-(phenylmethyl)phenyl]-1,2,4-thiadiazol-2-ium-5-amine chloride IUPAC Name: 2-(4-benzylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride Traditional Name: [2-(4-benzylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]amine chloride Formula: C21H18ClN3S MolecularWeight: 379.90572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)[N+]3=C(N=C(S3)N)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)[N+]3=C(N=C(S3)N)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H17N3S.ClH/c22-21-23-20(18-9-5-2-6-10-18)24(25-21)19-13-11-17(12-14-19)15-16-7-3-1-4-8-16;/h1-14,22H,15H2;1H