triphenyl-(2-prop-2-enyl-1-sulfanylidene-pyrimido[1,6-a]benzimidazol-4-yl)phosphanium perchlorate

Systemtic Name: triphenyl-(2-prop-2-enyl-1-sulfanylidene-pyrimido[1,6-a]benzimidazol-4-yl)phosphanium perchlorate Openeye Name: (2-allyl-1-thioxo-pyrimido[1,6-a]benzimidazol-4-yl)-triphenyl-phosphonium perchlorate CAS Name: triphenyl-(2-prop-2-enyl-1-sulfanylidene-4-pyrimido[1,6-a]benzimidazolyl)phosphonium perchlorate IUPAC Name: triphenyl-(2-prop-2-enyl-1-sulfanylidenepyrimido[1,6-a]benzimidazol-4-yl)phosphanium perchlorate Traditional Name: (2-allyl-1-thioxo-pyrimido[1,6-a]benzimidazol-4-yl)-triphenyl-phosphonium perchlorate Formula: C31H25ClN3O4PS MolecularWeight: 602.039661

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C2=NC3=CC=CC=C3N2C1=S)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C=CCN1C=C(C2=NC3=CC=CC=C3N2C1=S)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H25N3PS.ClHO4/c1-2-22-33-23-29(30-32-27-20-12-13-21-28(27)34(30)31(33)36)35(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26;2-1(3,4)5/h2-21,23H,1,22H2;(H,2,3,4,5)/q+1;/p-1