2-[3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetate Formula: C19H14ClN4O2S3- MolecularWeight: 461.98806

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CC(=O)[O-])C4=CC=CS4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CC(=O)[O-])C4=CC=CS4)Cl

InChI

InChI=1S/C19H15ClN4O2S3/c1-27-13-5-4-11-7-12(17(20)21-14(11)8-13)10-29-19-23-22-18(15-3-2-6-28-15)24(19)9-16(25)26/h2-8H,9-10H2,1H3,(H,25,26)/p-1