N-(5-chloranylpyridin-2-yl)-1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-1-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-1-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]nipecotamide Formula: C21H23ClN6OS2 MolecularWeight: 475.02992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4)C(=O)NC5=NC=C(C=C5)Cl

Isomeric SMILES

C1CC(CN(C1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4)C(=O)NC5=NC=C(C=C5)Cl

InChI

InChI=1S/C21H23ClN6OS2/c22-15-5-8-18(23-11-15)24-20(29)14-3-1-9-26(12-14)13-27-21(30)28(16-6-7-16)19(25-27)17-4-2-10-31-17/h2,4-5,8,10-11,14,16H,1,3,6-7,9,12-13H2,(H,23,24,29)