N-[5-(7-chloranylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[5-(7-chloranylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-[(7-chloro-4-quinolyl)sulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[(7-chloro-4-quinolinyl)thio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[5-[(7-chloro-4-quinolyl)thio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Formula: C20H15ClN4O3S2 MolecularWeight: 458.9411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC3=C4C=CC(=CC4=NC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC3=C4C=CC(=CC4=NC=C3)Cl)OC

InChI

InChI=1S/C20H15ClN4O3S2/c1-27-15-6-3-11(9-16(15)28-2)18(26)23-19-24-25-20(30-19)29-17-7-8-22-14-10-12(21)4-5-13(14)17/h3-10H,1-2H3,(H,23,24,26)