[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylidene-phenethyl-azanium

Systemtic Name: [4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylidene-phenethyl-azanium Openeye Name: (4,6-dioxo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-yl)methylene-phenethyl-ammonium CAS Name: (4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylidene-phenethylammonium IUPAC Name: (4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylidene-phenethylazanium Traditional Name: (4,6-diketo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-yl)methylene-phenethyl-ammonium Formula: C25H22N3O2S+ MolecularWeight: 428.52608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+]=CC2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+]=CC2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2S/c29-23-22(18-26-17-16-19-10-4-1-5-11-19)24(30)28(21-14-8-3-9-15-21)25(31)27(23)20-12-6-2-7-13-20/h1-15,18,22H,16-17H2/p+1