4-(2,6-diethylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,6-diethylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2,6-diethylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,6-diethylphenyl)-2-[(4-phenyl-1-piperazinyl)methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,6-diethylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2,6-diethylphenyl)-2-[(4-phenylpiperazino)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C28H32N6S MolecularWeight: 484.65888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H32N6S/c1-3-22-10-8-11-23(4-2)26(22)34-27(24-12-9-15-29-20-24)30-33(28(34)35)21-31-16-18-32(19-17-31)25-13-6-5-7-14-25/h5-15,20H,3-4,16-19,21H2,1-2H3