3-[5-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C17H18ClN5OS2 MolecularWeight: 407.94072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)CCC(=O)N

InChI

InChI=1S/C17H18ClN5OS2/c1-23-15(6-5-14(19)24)21-22-17(23)26-9-11-7-10-3-4-12(25-2)8-13(10)20-16(11)18/h3-4,7-8H,5-6,9H2,1-2H3,(H2,19,24)