1-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-(benzothiophen-2-ylmethyl)-3-piperidyl]-N-(3-hydroxypropyl)triazole-4-carboxamide CAS Name: 1-[(3S)-1-(1-benzothiophen-2-ylmethyl)-3-piperidinyl]-N-(3-hydroxypropyl)-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Traditional Name: 1-[(3S)-1-(benzothiophen-2-ylmethyl)-3-piperidyl]-N-(3-hydroxypropyl)triazole-4-carboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=CC=CC=C3S2)N4C=C(N=N4)C(=O)NCCCO

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC3=CC=CC=C3S2)N4C=C(N=N4)C(=O)NCCCO

InChI

InChI=1S/C20H25N5O2S/c26-10-4-8-21-20(27)18-14-25(23-22-18)16-6-3-9-24(12-16)13-17-11-15-5-1-2-7-19(15)28-17/h1-2,5,7,11,14,16,26H,3-4,6,8-10,12-13H2,(H,21,27)/t16-/m0/s1