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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[(4-phenylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C20H22ClN5OS MolecularWeight: 415.93958

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5OS/c1-27-18-8-7-15(21)13-17(18)19-22-20(28)26(23-19)14-24-9-11-25(12-10-24)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,23,28)