3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C14H14ClN5S MolecularWeight: 319.81246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=CN3N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=CN3N)Cl)C

InChI

InChI=1S/C14H14ClN5S/c1-8-3-4-10-5-11(13(15)18-12(10)9(8)2)6-21-14-19-17-7-20(14)16/h3-5,7H,6,16H2,1-2H3