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

Systemtic Name: 4-cyclohexyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-2-[(4-pyrazin-2-ylpiperazino)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=CN=C4)CC5=CC=CS5

Isomeric SMILES

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

InChI

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