N-butyl-5-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[(2-chloro-7-methyl-3-quinolyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[(2-chloro-7-methyl-3-quinolinyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(2-chloro-7-methyl-3-quinolyl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H19ClN4S2 MolecularWeight: 378.94256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=C(N=C3C=C(C=CC3=C2)C)Cl

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=C(N=C3C=C(C=CC3=C2)C)Cl

InChI

InChI=1S/C17H19ClN4S2/c1-3-4-7-19-16-21-22-17(24-16)23-10-13-9-12-6-5-11(2)8-14(12)20-15(13)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,21)