(3S)-3-[(4-pyridin-4-yl-1,2,3-triazol-1-yl)methyl]-N-thiophen-3-yl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[(4-pyridin-4-yl-1,2,3-triazol-1-yl)methyl]-N-thiophen-3-yl-piperidine-1-carboxamide Openeye Name: (3S)-3-[[4-(4-pyridyl)triazol-1-yl]methyl]-N-(3-thienyl)piperidine-1-carboxamide CAS Name: (3S)-3-[(4-pyridin-4-yl-1-triazolyl)methyl]-N-(3-thiophenyl)-1-piperidinecarboxamide IUPAC Name: (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide Traditional Name: (3S)-3-[[4-(4-pyridyl)triazol-1-yl]methyl]-N-(3-thienyl)piperidine-1-carboxamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CSC=C2)CN3C=C(N=N3)C4=CC=NC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CSC=C2)CN3C=C(N=N3)C4=CC=NC=C4

InChI

InChI=1S/C18H20N6OS/c25-18(20-16-5-9-26-13-16)23-8-1-2-14(10-23)11-24-12-17(21-22-24)15-3-6-19-7-4-15/h3-7,9,12-14H,1-2,8,10-11H2,(H,20,25)/t14-/m0/s1