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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[4-(4-pyridyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[(4-pyridin-4-yl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[4-(4-pyridyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H21ClN6OS MolecularWeight: 416.92764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C19H21ClN6OS/c1-27-17-3-2-14(20)12-16(17)18-22-19(28)26(23-18)13-24-8-10-25(11-9-24)15-4-6-21-7-5-15/h2-7,12H,8-11,13H2,1H3,(H,22,23,28)