5-(4-tert-butylphenyl)-4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione hydrochloride

Systemtic Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione hydrochloride Openeye Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione hydrochloride CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione hydrochloride IUPAC Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione hydrochloride Traditional Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-pyrazin-2-ylpiperazino)methyl]-1,2,4-triazole-3-thione hydrochloride Formula: C22H30ClN7S MolecularWeight: 460.0385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCN(CC3)C4=NC=CN=C4.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCN(CC3)C4=NC=CN=C4.Cl

InChI

InChI=1S/C22H29N7S.ClH/c1-22(2,3)18-7-5-17(6-8-18)20-25-29(21(30)26(20)4)16-27-11-13-28(14-12-27)19-15-23-9-10-24-19;/h5-10,15H,11-14,16H2,1-4H3;1H