5-(4-methoxyphenyl)-4-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-4-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-5-(4-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-propan-2-yl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-5-(4-methoxyphenyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H27N7OS MolecularWeight: 425.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H27N7OS/c1-16(2)28-19(17-5-7-18(29-3)8-6-17)24-27(21(28)30)15-25-11-13-26(14-12-25)20-22-9-4-10-23-20/h4-10,16H,11-15H2,1-3H3