2-(4-cyclohexylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride

Systemtic Name: 2-(4-cyclohexylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride Openeye Name: 2-(4-cyclohexylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride CAS Name: 2-(4-cyclohexylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride IUPAC Name: 2-(4-cyclohexylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride Traditional Name: [2-(4-cyclohexylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]amine chloride Formula: C20H22ClN3S MolecularWeight: 371.92678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)[N+]3=C(N=C(S3)N)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)[N+]3=C(N=C(S3)N)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H21N3S.ClH/c21-20-22-19(17-9-5-2-6-10-17)23(24-20)18-13-11-16(12-14-18)15-7-3-1-4-8-15;/h2,5-6,9-15,21H,1,3-4,7-8H2;1H