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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(2-methoxyphenyl)piperazino]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C21H25N5OS2 MolecularWeight: 427.5861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC=C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC=C

InChI

InChI=1S/C21H25N5OS2/c1-3-10-25-20(19-9-6-15-29-19)22-26(21(25)28)16-23-11-13-24(14-12-23)17-7-4-5-8-18(17)27-2/h3-9,15H,1,10-14,16H2,2H3