2-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate Openeye Name: 2-[(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]thio]-4-quinazolinolate IUPAC Name: 2-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]thio]quinazolin-4-olate Formula: C18H13N4O2S- MolecularWeight: 349.38642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H14N4O2S/c1-11(16(23)20-13-8-6-12(10-19)7-9-13)25-18-21-15-5-3-2-4-14(15)17(24)22-18/h2-9,11H,1H3,(H,20,23)(H,21,22,24)/p-1/t11-/m0/s1