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

Systemtic Name: 3-[5-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(2-chloro-3-quinolyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-chloro-3-quinolinyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-chloroquinolin-3-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-chloro-3-quinolyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=CC=CC=C4N=C3Cl)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=CC=CC=C4N=C3Cl)CCC(=O)N

InChI

InChI=1S/C18H18ClN5OS/c19-17-12(9-11-3-1-2-4-14(11)21-17)10-26-18-23-22-16(8-7-15(20)25)24(18)13-5-6-13/h1-4,9,13H,5-8,10H2,(H2,20,25)