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

Systemtic Name: 2-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-20(24-14-8-3-9-15-24)19(17-10-4-1-5-11-17)27-21-22-16-25(23-21)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2