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

Systemtic Name: sodium N1',N3'-bis[(4-cyanophenyl)carbothioyl]-N1',N3'-dimethyl-propanedihydrazide Openeye Name: sodium N1',N3'-bis(4-cyanobenzenecarbothioyl)-N1',N3'-dimethyl-propanedihydrazide CAS Name: sodium N1',N3'-bis[(4-cyanophenyl)-sulfanylidenemethyl]-N1',N3'-dimethylpropanedihydrazide IUPAC Name: sodium 1-N',3-N'-bis(4-cyanobenzenecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide Traditional Name: sodium N1',N3'-bis(4-cyanothiobenzoyl)-N1',N3'-dimethyl-malonohydrazide Formula: C42H36N12NaO4S4+ MolecularWeight: 924.06301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H18N6O2S2.Na/c2*1-26(20(30)16-7-3-14(12-22)4-8-16)24-18(28)11-19(29)25-27(2)21(31)17-9-5-15(13-23)6-10-17;/h2*3-10H,11H2,1-2H3,(H,24,28)(H,25,29);/q;;+1