2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)acetamide Formula: C23H27N5OS2 MolecularWeight: 453.62338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

InChI

InChI=1S/C23H27N5OS2/c29-22(24-17-6-8-18(9-7-17)27-12-2-1-3-13-27)16-31-23-26-25-21(28(23)19-10-11-19)15-20-5-4-14-30-20/h4-9,14,19H,1-3,10-13,15-16H2,(H,24,29)