3-(4-methylphenyl)-5-(4-methylpiperazin-1-ium-1-ylidene)-2-phenyl-1,2,4-thiadiazole

Systemtic Name: 3-(4-methylphenyl)-5-(4-methylpiperazin-1-ium-1-ylidene)-2-phenyl-1,2,4-thiadiazole Openeye Name: 5-(4-methylpiperazin-1-ium-1-ylidene)-2-phenyl-3-(p-tolyl)-1,2,4-thiadiazole CAS Name: 3-(4-methylphenyl)-5-(4-methyl-1-piperazin-1-iumylidene)-2-phenyl-1,2,4-thiadiazole IUPAC Name: 3-(4-methylphenyl)-5-(4-methylpiperazin-1-ium-1-ylidene)-2-phenyl-1,2,4-thiadiazole Traditional Name: 5-(4-methylpiperazin-1-ium-1-ylidene)-2-phenyl-3-(p-tolyl)-1,2,4-thiadiazole Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N4S/c1-16-8-10-17(11-9-16)19-21-20(23-14-12-22(2)13-15-23)25-24(19)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3/q+1