methyl 4-(3,3,3-triphenyl-2-sulfanylidene-propyl)benzoate

Systemtic Name: methyl 4-(3,3,3-triphenyl-2-sulfanylidene-propyl)benzoate Openeye Name: methyl 4-(3,3,3-triphenyl-2-thioxo-propyl)benzoate CAS Name: 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate Traditional Name: 4-(3,3,3-triphenyl-2-thioxo-propyl)benzoic acid methyl ester Formula: C29H24O2S MolecularWeight: 436.56466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(=S)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC(=S)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H24O2S/c1-31-28(30)23-19-17-22(18-20-23)21-27(32)29(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21H2,1H3