sodium N1',N3'-bis[(4-cyanophenyl)carbothioyl]-N1',N3',2-trimethyl-propanedihydrazide

Systemtic Name: sodium N1',N3'-bis[(4-cyanophenyl)carbothioyl]-N1',N3',2-trimethyl-propanedihydrazide Openeye Name: sodium N1',N3'-bis(4-cyanobenzenecarbothioyl)-N1',N3',2-trimethyl-propanedihydrazide CAS Name: sodium N1',N3'-bis[(4-cyanophenyl)-sulfanylidenemethyl]-N1',N3',2-trimethylpropanedihydrazide IUPAC Name: sodium 1-N',3-N'-bis(4-cyanobenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide Traditional Name: sodium N1',N3'-bis(4-cyanothiobenzoyl)-N1',N3',2-trimethyl-malonohydrazide Formula: C44H40N12NaO4S4+ MolecularWeight: 952.11617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN(C)C(=S)C1=CC=C(C=C1)C#N)C(=O)NN(C)C(=S)C2=CC=C(C=C2)C#N.CC(C(=O)NN(C)C(=S)C1=CC=C(C=C1)C#N)C(=O)NN(C)C(=S)C2=CC=C(C=C2)C#N.[Na+]

Isomeric SMILES

CC(C(=O)NN(C)C(=S)C1=CC=C(C=C1)C#N)C(=O)NN(C)C(=S)C2=CC=C(C=C2)C#N.CC(C(=O)NN(C)C(=S)C1=CC=C(C=C1)C#N)C(=O)NN(C)C(=S)C2=CC=C(C=C2)C#N.[Na+]

InChI

InChI=1S/2C22H20N6O2S2.Na/c2*1-14(19(29)25-27(2)21(31)17-8-4-15(12-23)5-9-17)20(30)26-28(3)22(32)18-10-6-16(13-24)7-11-18;/h2*4-11,14H,1-3H3,(H,25,29)(H,26,30);/q;;+1