methyl 5-phenyl-2-(1,2,2-trimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate

Systemtic Name: methyl 5-phenyl-2-(1,2,2-trimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate Openeye Name: methyl 5-phenyl-2-(1,2,2-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4-carboxylate CAS Name: 5-phenyl-2-(1,2,2-trimethyl-3-sulfanylidene-4-quinolinylidene)-1,3-dithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4-carboxylate Traditional Name: 5-phenyl-2-(1,2,2-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4-carboxylic acid methyl ester Formula: C23H21NO2S3 MolecularWeight: 439.61334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4N1C)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4N1C)C

InChI

InChI=1S/C23H21NO2S3/c1-23(2)20(27)17(15-12-8-9-13-16(15)24(23)3)22-28-18(14-10-6-5-7-11-14)19(29-22)21(25)26-4/h5-13H,1-4H3