chloranylnickel; N'-[(E)-(3-methyl-4-oxidanyl-2-oxidanylidene-naphthalen-1-ylidene)amino]carbamimidothioate

Systemtic Name: chloranylnickel; N'-[(E)-(3-methyl-4-oxidanyl-2-oxidanylidene-naphthalen-1-ylidene)amino]carbamimidothioate Openeye Name: chloronickel; N'-[(E)-(4-hydroxy-3-methyl-2-oxo-1-naphthylidene)amino]carbamimidothioate CAS Name: chloronickel; N'-[(E)-(4-hydroxy-3-methyl-2-oxo-1-naphthalenylidene)amino]carbamimidothioate IUPAC Name: chloronickel; N'-[(E)-(4-hydroxy-3-methyl-2-oxonaphthalen-1-ylidene)amino]carbamimidothioate Traditional Name: chloronickel; N'-[(E)-(4-hydroxy-2-keto-3-methyl-1-naphthylidene)amino]carbamimidothioate Formula: C12H10ClN3NiO2S- MolecularWeight: 354.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=NN=C(N)[S-])C1=O)O.Cl[Ni]

Isomeric SMILES

CC1=C(C2=CC=CC=C2/C(=N\N=C(\N)/[S-])/C1=O)O.Cl[Ni]

InChI

InChI=1S/C12H11N3O2S.ClH.Ni/c1-6-10(16)8-5-3-2-4-7(8)9(11(6)17)14-15-12(13)18;;/h2-5,16H,1H3,(H3,13,15,18);1H;/q;;+1/p-2/b14-9+;;