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

Systemtic Name: 5-(2-methoxyphenyl)-4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(2-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-4-prop-2-enyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(2-methoxyphenyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H25N7OS MolecularWeight: 423.5345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N7OS/c1-3-11-27-19(17-7-4-5-8-18(17)29-2)24-28(21(27)30)16-25-12-14-26(15-13-25)20-22-9-6-10-23-20/h3-10H,1,11-16H2,2H3