4-(2-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(o-tolyl)-2-[(4-phenylpiperazin-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methylphenyl)-2-[(4-phenyl-1-piperazinyl)methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(o-tolyl)-2-[(4-phenylpiperazino)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C25H26N6S MolecularWeight: 442.57914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H26N6S/c1-20-8-5-6-12-23(20)31-24(21-9-7-13-26-18-21)27-30(25(31)32)19-28-14-16-29(17-15-28)22-10-3-2-4-11-22/h2-13,18H,14-17,19H2,1H3