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

Systemtic Name: 3-[5-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(2-chloro-3-quinolyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-chloro-3-quinolinyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-chloroquinolin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-chloro-3-quinolyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H16ClN5OS MolecularWeight: 361.84914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)CCC(=O)N

InChI

InChI=1S/C16H16ClN5OS/c1-22-14(7-6-13(18)23)20-21-16(22)24-9-11-8-10-4-2-3-5-12(10)19-15(11)17/h2-5,8H,6-7,9H2,1H3,(H2,18,23)