[1-[[4-phenethyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[[4-phenethyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[[4-phenethyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[4-phenethyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[[4-phenethyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[[4-phenethyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]-pyrrolidino-methanone Formula: C26H33N5OS2 MolecularWeight: 495.70312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCN(CC2)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2CCN(CC2)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H33N5OS2/c32-25(29-13-4-5-14-29)22-11-15-28(16-12-22)20-31-26(33)30(17-10-21-7-2-1-3-8-21)24(27-31)19-23-9-6-18-34-23/h1-3,6-9,18,22H,4-5,10-17,19-20H2