2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C25H31N5OS/c1-3-28(4-2)21-15-13-20(14-16-21)24-26-27-25(30(24)22-11-7-5-8-12-22)32-19-23(31)29-17-9-6-10-18-29/h5,7-8,11-16H,3-4,6,9-10,17-19H2,1-2H3