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

Systemtic Name: N-(4-chlorophenyl)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine Openeye Name: 2-benzyl-N-(4-chlorophenyl)-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine CAS Name: N-(4-chlorophenyl)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine IUPAC Name: 2-benzyl-N-(4-chlorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium-5-amine Traditional Name: [2-benzyl-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]-(4-chlorophenyl)amine Formula: C22H19ClN3S+ MolecularWeight: 392.92436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3S/c1-16-7-9-18(10-8-16)21-25-22(24-20-13-11-19(23)12-14-20)27-26(21)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/p+1