4-[2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazine-1-carbaldehyde Openeye Name: 4-[2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carbaldehyde CAS Name: 4-[1-oxo-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazine-1-carbaldehyde Formula: C18H23N5O3S2 MolecularWeight: 421.53692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC(=O)N3CCN(CC3)C=O)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC(=O)N3CCN(CC3)C=O)C4=CC=CS4

InChI

InChI=1S/C18H23N5O3S2/c24-13-21-5-7-22(8-6-21)16(25)12-28-18-20-19-17(15-4-2-10-27-15)23(18)11-14-3-1-9-26-14/h2,4,10,13-14H,1,3,5-9,11-12H2