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

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-3-quinolyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloroquinolin-3-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-3-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=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=CC=CC=C4N=C3Cl

InChI

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