ethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(S3)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(S3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-2-27-19(26)18-16(12-28-21-25-24-20(22)29-21)23-15-11-7-6-10-14(15)17(18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H2,22,24)