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

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-3-quinolyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloroquinolin-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-3-quinolyl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C12H10ClN5S MolecularWeight: 291.7593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NN=CN3N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NN=CN3N

InChI

InChI=1S/C12H10ClN5S/c13-11-9(6-19-12-17-15-7-18(12)14)5-8-3-1-2-4-10(8)16-11/h1-5,7H,6,14H2