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

Systemtic Name: 3-[5-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(3-chloro-4-methyl-2-quinolyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)CCC(=O)N

InChI

InChI=1S/C18H20ClN5OS/c1-3-24-16(9-8-15(20)25)22-23-18(24)26-10-14-17(19)11(2)12-6-4-5-7-13(12)21-14/h4-7H,3,8-10H2,1-2H3,(H2,20,25)