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

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-3-quinolyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloroquinolin-3-yl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-3-quinolyl)methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C20H18ClN5O2S/c1-27-15-6-4-7-16(10-15)28-11-18-24-25-20(26(18)22)29-12-14-9-13-5-2-3-8-17(13)23-19(14)21/h2-10H,11-12,22H2,1H3