N-(5-chloranyl-2-piperidin-1-yl-phenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-piperidin-1-yl-phenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[5-chloro-2-(1-piperidyl)phenyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[5-chloro-2-(1-piperidinyl)phenyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-piperidino-phenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H25ClN6OS MolecularWeight: 505.0343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H25ClN6OS/c27-20-11-12-23(32-14-5-2-6-15-32)22(16-20)29-24(34)18-35-26-31-30-25(19-8-7-13-28-17-19)33(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,29,34)