4-(3-chloranyl-4-methyl-phenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-methylphenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-[2-(4-methylpiperazino)ethyl]-1H-1,2,4-triazole-5-thione Formula: C16H22ClN5S MolecularWeight: 351.89738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NNC2=S)CCN3CCN(CC3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NNC2=S)CCN3CCN(CC3)C)Cl

InChI

InChI=1S/C16H22ClN5S/c1-12-3-4-13(11-14(12)17)22-15(18-19-16(22)23)5-6-21-9-7-20(2)8-10-21/h3-4,11H,5-10H2,1-2H3,(H,19,23)