1-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[[4-(2-methoxyphenyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[[4-(2-methoxyphenyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C22H28N5O2S2+ MolecularWeight: 458.62002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H27N5O2S2/c1-16(2)21(28)25-12-10-24(11-13-25)15-26-22(30)27(17-7-4-5-8-18(17)29-3)20(23-26)19-9-6-14-31-19/h4-9,14,16H,10-13,15H2,1-3H3/p+1