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

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-4-methyl-phenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-4-methylphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-4-methylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-4-methyl-phenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H23ClN5S+ MolecularWeight: 400.94812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5S/c1-16-7-8-18(13-19(16)21)25-14-22-26(20(25)27)15-23-9-11-24(12-10-23)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3/p+1