1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H29N5OS MolecularWeight: 459.60636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C26H29N5OS/c1-2-19-10-9-13-21-22(16-27-25(19)21)23(32)18-33-26-29-28-24(17-30-14-7-4-8-15-30)31(26)20-11-5-3-6-12-20/h3,5-6,9-13,16,27H,2,4,7-8,14-15,17-18H2,1H3