3-[5-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(2-chloro-3-quinolyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-chloro-3-quinolinyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-chloroquinolin-3-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-chloro-3-quinolyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C17H18ClN5OS MolecularWeight: 375.87572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)CCC(=O)N

InChI

InChI=1S/C17H18ClN5OS/c1-2-23-15(8-7-14(19)24)21-22-17(23)25-10-12-9-11-5-3-4-6-13(11)20-16(12)18/h3-6,9H,2,7-8,10H2,1H3,(H2,19,24)