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

Systemtic Name: N-(4-methoxyphenyl)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine Openeye Name: 2-benzyl-N-(4-methoxyphenyl)-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine CAS Name: N-(4-methoxyphenyl)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine IUPAC Name: 2-benzyl-N-(4-methoxyphenyl)-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-methoxyphenyl)amine Formula: C23H22N3OS+ MolecularWeight: 388.50528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3OS/c1-17-8-10-19(11-9-17)22-25-23(24-20-12-14-21(27-2)15-13-20)28-26(22)16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/p+1