4-cyano-5-[(4-propan-2-ylphenyl)amino]-1,2-thiazol-3-olate

Systemtic Name: 4-cyano-5-[(4-propan-2-ylphenyl)amino]-1,2-thiazol-3-olate Openeye Name: 4-cyano-5-(4-isopropylanilino)isothiazol-3-olate CAS Name: 4-cyano-5-(4-propan-2-ylanilino)-3-isothiazololate IUPAC Name: 4-cyano-5-(4-propan-2-ylanilino)-1,2-thiazol-3-olate Traditional Name: 5-cumidino-4-cyano-isothiazol-3-olate Formula: C13H12N3OS- MolecularWeight: 258.31888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NS2)[O-])C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NS2)[O-])C#N

InChI

InChI=1S/C13H13N3OS/c1-8(2)9-3-5-10(6-4-9)15-13-11(7-14)12(17)16-18-13/h3-6,8,15H,1-2H3,(H,16,17)/p-1