2-(4-chlorophenyl)-3-phenyl-N-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine

Systemtic Name: 2-(4-chlorophenyl)-3-phenyl-N-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine Openeye Name: N-benzyl-2-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine CAS Name: 2-(4-chlorophenyl)-3-phenyl-N-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine IUPAC Name: N-benzyl-2-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine Traditional Name: benzyl-[2-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]amine Formula: C21H17ClN3S+ MolecularWeight: 378.89778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=[N+](S2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=[N+](S2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3S/c22-18-11-13-19(14-12-18)25-20(17-9-5-2-6-10-17)24-21(26-25)23-15-16-7-3-1-4-8-16/h1-14H,15H2/p+1