[4-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-25(2)12-18-23-17-6-4-3-5-16(17)20(24-18)27-13-19(26)22-11-14-7-9-15(21)10-8-14/h3-10H,11-13H2,1-2H3,(H,22,26)/p+1