1-(4-phenylpiperazin-1-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-phenylpiperazino)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C27H34N6OS MolecularWeight: 490.66346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C27H34N6OS/c1-22(26(34)32-19-17-31(18-20-32)23-11-5-2-6-12-23)35-27-29-28-25(21-30-15-9-4-10-16-30)33(27)24-13-7-3-8-14-24/h2-3,5-8,11-14,22H,4,9-10,15-21H2,1H3