sodium (Z)-[1-(4-methylphenyl)-5-oxidanylidene-2-(phenylmethylsulfanyl)imidazol-4-ylidene]methanolate

Systemtic Name: sodium (Z)-[1-(4-methylphenyl)-5-oxidanylidene-2-(phenylmethylsulfanyl)imidazol-4-ylidene]methanolate Openeye Name: sodium (Z)-[2-benzylsulfanyl-5-oxo-1-(p-tolyl)imidazol-4-ylidene]methanolate CAS Name: sodium (Z)-[1-(4-methylphenyl)-5-oxo-2-(phenylmethylthio)-4-imidazolylidene]methanolate IUPAC Name: sodium (Z)-[2-benzylsulfanyl-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methanolate Traditional Name: sodium (Z)-[2-(benzylthio)-5-keto-1-(p-tolyl)-2-imidazolin-4-ylidene]methanolate Formula: C18H15N2NaO2S MolecularWeight: 346.37867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C[O-])N=C2SCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/N=C2SCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C18H16N2O2S.Na/c1-13-7-9-15(10-8-13)20-17(22)16(11-21)19-18(20)23-12-14-5-3-2-4-6-14;/h2-11,21H,12H2,1H3;/q;+1/p-1/b16-11-;