5-[(6-chloranylpyridin-3-yl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(6-chloranylpyridin-3-yl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(6-chloro-3-pyridyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(6-chloro-3-pyridinyl)methyl]-2-[(4-methyl-1-piperazinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(6-chloropyridin-3-yl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(6-chloro-3-pyridyl)methyl]-2-[(4-methylpiperazino)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C20H23ClN6S MolecularWeight: 414.95482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CN=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CN=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H23ClN6S/c1-24-9-11-25(12-10-24)15-26-20(28)27(17-5-3-2-4-6-17)19(23-26)13-16-7-8-18(21)22-14-16/h2-8,14H,9-13,15H2,1H3