3-(2-diphenylphosphanyl-4,6-dimethyl-phenyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(2-diphenylphosphanyl-4,6-dimethyl-phenyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2-diphenylphosphanyl-4,6-dimethyl-phenyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2-diphenylphosphino-4,6-dimethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2-diphenylphosphanyl-4,6-dimethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-diphenylphosphino-4,6-dimethyl-phenyl)-2-thioxo-1H-quinazolin-4-one Formula: C28H23N2OPS MolecularWeight: 466.533781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5NC4=S)C

Isomeric SMILES

CC1=CC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5NC4=S)C

InChI

InChI=1S/C28H23N2OPS/c1-19-17-20(2)26(30-27(31)23-15-9-10-16-24(23)29-28(30)33)25(18-19)32(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18H,1-2H3,(H,29,33)