2-[4-[3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-5-ylidene]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-5-ylidene]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[2-phenyl-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-5-ylidene]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-5-ylidene]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[2-phenyl-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]piperazin-4-ium-1-yl]ethanol Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+]3CCN(CC3)CCO)SN2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+]3CCN(CC3)CCO)SN2C4=CC=CC=C4

InChI

InChI=1S/C21H25N4OS/c1-17-7-9-18(10-8-17)20-22-21(24-13-11-23(12-14-24)15-16-26)27-25(20)19-5-3-2-4-6-19/h2-10,26H,11-16H2,1H3/q+1