6-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide

Systemtic Name: 6-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-methoxy-quinoline-2-carboxamide CAS Name: 6-methoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-methoxyquinoline-2-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-6-methoxy-quinaldamide Formula: C20H16N4O2S2 MolecularWeight: 408.49664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H16N4O2S2/c1-26-15-8-10-16-14(11-15)7-9-17(21-16)18(25)22-19-23-24-20(28-19)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,23,25)