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

Systemtic Name: 2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c28-22(26-16-8-3-9-17-26)18-29-23-25-24-21(15-14-19-10-4-1-5-11-19)27(23)20-12-6-2-7-13-20/h1-2,4-7,10-13H,3,8-9,14-18H2