ethyl-[(3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: ethyl-[(3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: ethyl-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[(3-ethyl-2-sulfanylidene-1-benzimidazolyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: ethyl-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: ethyl-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)C[NH+](CC)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)C[NH+](CC)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H23N5OS/c1-3-24(13-19-22-16-10-6-5-9-15(16)20(27)23-19)14-26-18-12-8-7-11-17(18)25(4-2)21(26)28/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,27)/p+1