ethyl 4-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-phenyl-2-[(1,3,4-thiadiazol-2-ylthio)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[(1,3,4-thiadiazol-2-ylthio)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-2-26-20(25)19-17(12-27-21-24-22-13-28-21)23-16-11-7-6-10-15(16)18(19)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3