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

Systemtic Name: (2S)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2S)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2S)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2S)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2S)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1S[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-25-19(17-11-8-12-22-15-17)23-24-21(25)28-18(16-9-4-2-5-10-16)20(27)26-13-6-3-7-14-26/h2,4-5,8-12,15,18H,3,6-7,13-14H2,1H3/t18-/m0/s1