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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC4=CC=CC=C4N=C3Cl

InChI

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