3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(5-chloro-8-quinolyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(5-chloro-8-quinolinyl)methylthio]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(5-chloro-8-quinolyl)methylthio]-5-p-phenetyl-1,2,4-triazol-4-yl]amine Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C20H18ClN5OS/c1-2-27-15-8-5-13(6-9-15)19-24-25-20(26(19)22)28-12-14-7-10-17(21)16-4-3-11-23-18(14)16/h3-11H,2,12,22H2,1H3