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

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-3-quinolyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloroquinolin-3-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-3-quinolyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C19H16ClN5OS MolecularWeight: 397.88124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C19H16ClN5OS/c1-26-15-8-6-12(7-9-15)18-23-24-19(25(18)21)27-11-14-10-13-4-2-3-5-16(13)22-17(14)20/h2-10H,11,21H2,1H3