4-(2-methoxyphenyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methoxyphenyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyphenyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyphenyl)-2-[[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyphenyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyphenyl)-2-[[4-(2-phenoxyethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C22H27N5O2S MolecularWeight: 425.54708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN(C2=S)CN3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C=NN(C2=S)CN3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-28-21-10-6-5-9-20(21)26-17-23-27(22(26)30)18-25-13-11-24(12-14-25)15-16-29-19-7-3-2-4-8-19/h2-10,17H,11-16,18H2,1H3