2-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C20H17N4O2S- MolecularWeight: 377.43958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-14-7-9-15(10-8-14)24(12-4-11-21)18(25)13-27-20-22-17-6-3-2-5-16(17)19(26)23-20/h2-3,5-10H,4,12-13H2,1H3,(H,22,23,26)/p-1