2-[3,4-bis(azanyl)quinazolin-3-ium-2-yl]sulfanyl-1,2-diphenyl-ethanone

Systemtic Name: 2-[3,4-bis(azanyl)quinazolin-3-ium-2-yl]sulfanyl-1,2-diphenyl-ethanone Openeye Name: 2-(3,4-diaminoquinazolin-3-ium-2-yl)sulfanyl-1,2-diphenyl-ethanone CAS Name: 2-[(3,4-diamino-2-quinazolin-3-iumyl)thio]-1,2-diphenylethanone IUPAC Name: 2-(3,4-diaminoquinazolin-3-ium-2-yl)sulfanyl-1,2-diphenylethanone Traditional Name: 2-[(3,4-diaminoquinazolin-3-ium-2-yl)thio]-1,2-diphenyl-ethanone Formula: C22H19N4OS+ MolecularWeight: 387.47746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=[N+]3N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=[N+]3N)N

InChI

InChI=1S/C22H18N4OS/c23-21-17-13-7-8-14-18(17)25-22(26(21)24)28-20(16-11-5-2-6-12-16)19(27)15-9-3-1-4-10-15/h1-14,20,23H,24H2/p+1