[4-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(2-chloro-4-methyl-anilino)-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:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-13-8-9-17(15(21)10-13)23-19(26)12-27-20-14-6-4-5-7-16(14)22-18(24-20)11-25(2)3/h4-10H,11-12H2,1-3H3,(H,23,26)/p+1