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

Systemtic Name: 3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C21H20ClN5O2S2 MolecularWeight: 473.9988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C21H20ClN5O2S2/c1-28-15-4-3-5-16(9-15)29-11-19-25-26-21(27(19)23)31-12-14-8-13-6-7-17(30-2)10-18(13)24-20(14)22/h3-10H,11-12,23H2,1-2H3