copper (1E)-N-(butylcarbamothioyl)-4-(4-chlorophenyl)sulfonyl-benzenecarbohydrazonate thiocyanate hydrate

Systemtic Name: copper (1E)-N-(butylcarbamothioyl)-4-(4-chlorophenyl)sulfonyl-benzenecarbohydrazonate thiocyanate hydrate Openeye Name: copper (1E)-N-(butylcarbamothioyl)-4-(4-chlorophenyl)sulfonyl-benzenecarbohydrazonate thiocyanate hydrate CAS Name: copper (1E)-N-[butylamino(sulfanylidene)methyl]-4-(4-chlorophenyl)sulfonylbenzenecarbohydrazonate thiocyanate hydrate IUPAC Name: copper (1E)-N-(butylcarbamothioyl)-4-(4-chlorophenyl)sulfonylbenzenecarbohydrazonate thiocyanate hydrate Traditional Name: cupric (1E)-N-(butylthiocarbamoyl)-4-(4-chlorophenyl)sulfonyl-benzenecarbohydrazonate thiocyanate hydrate Formula: C19H21ClCuN4O4S3 MolecularWeight: 564.58844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)[O-].C(#N)[S-].O.[Cu+2]

Isomeric SMILES

CCCCNC(=S)N/N=C(\C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)/[O-].C(#N)[S-].O.[Cu+2]

InChI

InChI=1S/C18H20ClN3O3S2.CHNS.Cu.H2O/c1-2-3-12-20-18(26)22-21-17(23)13-4-8-15(9-5-13)27(24,25)16-10-6-14(19)7-11-16;2-1-3;;/h4-11H,2-3,12H2,1H3,(H,21,23)(H2,20,22,26);3H;;1H2/q;;+2;/p-2