[(3R)-1-[(1-phenethyl-1,2,3-triazol-4-yl)carbonyl]piperidin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3R)-1-[(1-phenethyl-1,2,3-triazol-4-yl)carbonyl]piperidin-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3R)-1-(1-phenethyltriazole-4-carbonyl)-3-piperidyl]-(2-thienyl)methanone CAS Name: [(3R)-1-[oxo-(1-phenethyl-4-triazolyl)methyl]-3-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [(3R)-1-(1-phenethyltriazole-4-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3R)-1-(1-phenethyltriazole-4-carbonyl)-3-piperidyl]-(2-thienyl)methanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN(N=N2)CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2=CN(N=N2)CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S/c26-20(19-9-5-13-28-19)17-8-4-11-24(14-17)21(27)18-15-25(23-22-18)12-10-16-6-2-1-3-7-16/h1-3,5-7,9,13,15,17H,4,8,10-12,14H2/t17-/m1/s1