1,3-diphenyl-8-phenylsulfanyl-2H-quinazolin-3-ium

Systemtic Name: 1,3-diphenyl-8-phenylsulfanyl-2H-quinazolin-3-ium Openeye Name: 1,3-diphenyl-8-phenylsulfanyl-2H-quinazolin-3-ium CAS Name: 1,3-diphenyl-8-(phenylthio)-2H-quinazolin-3-ium IUPAC Name: 1,3-diphenyl-8-phenylsulfanyl-2H-quinazolin-3-ium Traditional Name: 1,3-diphenyl-8-(phenylthio)-2H-quinazolin-3-ium Formula: C26H21N2S+ MolecularWeight: 393.52334

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=C(C=CC=C2SC3=CC=CC=C3)C=[N+]1C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1N(C2=C(C=CC=C2SC3=CC=CC=C3)C=[N+]1C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N2S/c1-4-12-22(13-5-1)27-19-21-11-10-18-25(29-24-16-8-3-9-17-24)26(21)28(20-27)23-14-6-2-7-15-23/h1-19H,20H2/q+1