3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-1H-1,2,4-triazol-5-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=NNC(=N3)N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)N)Cl)C

InChI

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