2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c1-2-25-19(17-12-9-15-27-17)22-23-21(25)28-18(16-10-5-3-6-11-16)20(26)24-13-7-4-8-14-24/h3,5-6,9-12,15,18H,2,4,7-8,13-14H2,1H3