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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN6OS/c21-15-9-10-17(22-13-15)23-18(28)14-29-20-25-24-19(26-11-5-2-6-12-26)27(20)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,23,28)