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

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NN=CN2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NN=CN2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C24H29N5O2S/c1-31-21-12-10-19(11-13-21)22(28-14-6-3-7-15-28)16-25-23(30)17-32-24-27-26-18-29(24)20-8-4-2-5-9-20/h2,4-5,8-13,18,22H,3,6-7,14-17H2,1H3,(H,25,30)