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

Systemtic Name: 5-(2-methoxyphenyl)-4-prop-2-enyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(2-methoxyphenyl)-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-4-prop-2-enyl-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-4-prop-2-enyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(2-methoxyphenyl)-2-[[4-(2-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C22H26N6OS MolecularWeight: 422.54644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6OS/c1-3-12-27-21(18-8-4-5-9-19(18)29-2)24-28(22(27)30)17-25-13-15-26(16-14-25)20-10-6-7-11-23-20/h3-11H,1,12-17H2,2H3