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

Systemtic Name: N-cyclohexyl-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine Openeye Name: 2-benzyl-N-cyclohexyl-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine CAS Name: N-cyclohexyl-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine IUPAC Name: 2-benzyl-N-cyclohexyl-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]-cyclohexyl-amine Formula: C22H26N3S+ MolecularWeight: 364.52694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3S/c1-17-12-14-19(15-13-17)21-24-22(23-20-10-6-3-7-11-20)26-25(21)16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3/p+1