zinc [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide

Systemtic Name: zinc [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Openeye Name: zinc [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide CAS Name: zinc [5-[[(3,4-dichloroanilino)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide IUPAC Name: zinc [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Traditional Name: zinc [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Formula: C18H12Cl4N10O6S4Zn MolecularWeight: 799.83228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)S(=O)(=O)[NH-])Cl)Cl.C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)S(=O)(=O)[NH-])Cl)Cl.[Zn+2]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)S(=O)(=O)[NH-])Cl)Cl.C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)S(=O)(=O)[NH-])Cl)Cl.[Zn+2]

InChI

InChI=1S/2C9H7Cl2N5O3S2.Zn/c2*10-5-2-1-4(3-6(5)11)13-7(17)14-8-15-16-9(20-8)21(12,18)19;/h2*1-3H,(H4,12,13,14,15,17,18,19);/q;;+2/p-2