ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]azanium

Systemtic Name: ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]azanium Openeye Name: (2-allylsulfanylbenzimidazol-1-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[2-(prop-2-enylthio)-1-benzimidazolyl]methyl]ammonium IUPAC Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]azanium Traditional Name: [2-(allylthio)benzimidazol-1-yl]methyl-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=CC=CC=C4N=C3SCC=C

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=CC=CC=C4N=C3SCC=C

InChI

InChI=1S/C22H23N5OS/c1-3-13-29-22-24-18-11-7-8-12-19(18)27(22)15-26(4-2)14-20-23-17-10-6-5-9-16(17)21(28)25-20/h3,5-12H,1,4,13-15H2,2H3,(H,23,25,28)/p+1