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

Systemtic Name: 4-(2,6-diethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2,6-diethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,6-diethylphenyl)-2-[(4-ethyl-1-piperazinyl)methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,6-diethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2,6-diethylphenyl)-2-[(4-ethylpiperazino)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C24H32N6S MolecularWeight: 436.61608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6S/c1-4-19-9-7-10-20(5-2)22(19)30-23(21-11-8-12-25-17-21)26-29(24(30)31)18-28-15-13-27(6-3)14-16-28/h7-12,17H,4-6,13-16,18H2,1-3H3