4-(1,3-benzothiazol-2-yl)-5-phenyl-3-(triphenyl-$l^{5}-phosphanylidene)pent-4-en-2-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-5-phenyl-3-(triphenyl-$l^{5}-phosphanylidene)pent-4-en-2-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-5-phenyl-3-(triphenyl-$l^{5}-phosphanylidene)pent-4-en-2-one CAS Name: 4-(1,3-benzothiazol-2-yl)-5-phenyl-3-triphenylphosphoranylidene-4-penten-2-one IUPAC Name: 4-(1,3-benzothiazol-2-yl)-5-phenyl-3-(triphenyl-$l^{5}-phosphanylidene)pent-4-en-2-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-phenyl-3-triphenylphosphoranylidene-pent-4-en-2-one Formula: C36H28NOPS MolecularWeight: 553.652381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=CC4=CC=CC=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=CC4=CC=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C36H28NOPS/c1-27(38)35(32(26-28-16-6-2-7-17-28)36-37-33-24-14-15-25-34(33)40-36)39(29-18-8-3-9-19-29,30-20-10-4-11-21-30)31-22-12-5-13-23-31/h2-26H,1H3