dimethyl-[(1S)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-phenylethyl]azanium Traditional Name: [(1S)-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN1C(=O)C2=CC=CC=C2NC1=S)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CN1C(=O)C2=CC=CC=C2NC1=S)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-20(2)16(13-8-4-3-5-9-13)12-21-17(22)14-10-6-7-11-15(14)19-18(21)23/h3-11,16H,12H2,1-2H3,(H,19,23)/p+1/t16-/m1/s1