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

Systemtic Name: 5-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-1,3,4-thiadiazol-2-yl]-(2-methoxyethyl)amine Formula: C16H17ClN4OS3 MolecularWeight: 412.98038

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

COCCNC1=NN=C(S1)SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C16H17ClN4OS3/c1-22-6-5-18-15-20-21-16(25-15)24-9-11-7-10-3-4-12(23-2)8-13(10)19-14(11)17/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,20)