4-(2,5-dimethylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2,5-dimethylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2,5-dimethylphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2,5-dimethylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2,5-dimethylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5S/c1-17-8-9-18(2)20(14-17)25-15-22-26(21(25)27)16-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3/p+1