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

Systemtic Name: methyl 4-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H15N3O2S2 MolecularWeight: 393.482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S2/c1-25-19(24)18-16(11-26-20-23-21-12-27-20)22-15-10-6-5-9-14(15)17(18)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3