4-cyclohexyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclohexyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C22H29N7S2 MolecularWeight: 455.64256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)CC5=CC=CS5

InChI

InChI=1S/C22H29N7S2/c30-22-28(17-26-11-13-27(14-12-26)21-23-9-5-10-24-21)25-20(16-19-8-4-15-31-19)29(22)18-6-2-1-3-7-18/h4-5,8-10,15,18H,1-3,6-7,11-14,16-17H2