4-(3-chloranyl-4-methyl-phenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-methyl-phenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-methylphenyl)-5-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-methylphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-methyl-phenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Formula: C15H20ClN5S MolecularWeight: 337.8708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])CN3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])CN3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C15H20ClN5S/c1-11-3-4-12(9-13(11)16)21-14(17-18-15(21)22)10-20-7-5-19(2)6-8-20/h3-4,9H,5-8,10H2,1-2H3,(H,18,22)