1,8-dimethyl-3-phenyl-6-phenylsulfanyl-2H-quinazolin-1-ium

Systemtic Name: 1,8-dimethyl-3-phenyl-6-phenylsulfanyl-2H-quinazolin-1-ium Openeye Name: 1,8-dimethyl-3-phenyl-6-phenylsulfanyl-2H-quinazolin-1-ium CAS Name: 1,8-dimethyl-3-phenyl-6-(phenylthio)-2H-quinazolin-1-ium IUPAC Name: 1,8-dimethyl-3-phenyl-6-phenylsulfanyl-2H-quinazolin-1-ium Traditional Name: 1,8-dimethyl-3-phenyl-6-(phenylthio)-2H-quinazolin-1-ium Formula: C22H21N2S+ MolecularWeight: 345.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=CN(C[N+](=C12)C)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC2=CN(C[N+](=C12)C)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H21N2S/c1-17-13-21(25-20-11-7-4-8-12-20)14-18-15-24(16-23(2)22(17)18)19-9-5-3-6-10-19/h3-15H,16H2,1-2H3/q+1