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

Systemtic Name: 3-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3-chloro-4-methyl-2-quinolyl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)N)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)N)Cl

InChI

InChI=1S/C13H12ClN5S/c1-7-8-4-2-3-5-9(8)16-10(11(7)14)6-20-13-17-12(15)18-19-13/h2-5H,6H2,1H3,(H3,15,17,18,19)