2-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C21H19N4O2S- MolecularWeight: 391.46616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])C

InChI

InChI=1S/C21H20N4O2S/c1-14-10-15(2)12-16(11-14)25(9-5-8-22)19(26)13-28-21-23-18-7-4-3-6-17(18)20(27)24-21/h3-4,6-7,10-12H,5,9,13H2,1-2H3,(H,23,24,27)/p-1