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

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C20H22ClN5S MolecularWeight: 399.94018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

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