S-(phenylmethyl) 2-methyl-5-oxidanylidene-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbothioate

Systemtic Name: S-(phenylmethyl) 2-methyl-5-oxidanylidene-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbothioate Openeye Name: S-benzyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbothioate CAS Name: 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbothioate Traditional Name: 5-keto-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbothioic acid S-benzyl ester Formula: C27H21NO2S MolecularWeight: 423.52614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)SCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)SCC5=CC=CC=C5

InChI

InChI=1S/C27H21NO2S/c1-17-22(27(30)31-16-18-10-4-2-5-11-18)23(19-12-6-3-7-13-19)24-25(28-17)20-14-8-9-15-21(20)26(24)29/h2-15,23,28H,16H2,1H3