4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 4-allyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 4-[[2-(2-methoxyphenyl)-1-piperazinyl]methyl]-3-phenyl-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 4-allyl-4-[[2-(2-methoxyphenyl)piperazino]methyl]-3-phenyl-1H-1,2,4-triazol-4-ium-5-thione Formula: C23H28N5OS+ MolecularWeight: 422.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CNCCN2C[N+]3(C(=NNC3=S)C4=CC=CC=C4)CC=C

Isomeric SMILES

COC1=CC=CC=C1C2CNCCN2C[N+]3(C(=NNC3=S)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C23H27N5OS/c1-3-15-28(22(25-26-23(28)30)18-9-5-4-6-10-18)17-27-14-13-24-16-20(27)19-11-7-8-12-21(19)29-2/h3-12,20,24H,1,13-17H2,2H3/p+1