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

Systemtic Name: aluminum [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Openeye Name: aluminum [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide CAS Name: aluminum [5-[[(3,4-dichloroanilino)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide IUPAC Name: aluminum [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Traditional Name: aluminum [5-[(3,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Formula: C27H18AlCl6N15O9S6 MolecularWeight: 1128.616458

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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.C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)S(=O)(=O)[NH-])Cl)Cl.[Al+3]

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.C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)S(=O)(=O)[NH-])Cl)Cl.[Al+3]

InChI

InChI=1S/3C9H7Cl2N5O3S2.Al/c3*10-5-2-1-4(3-6(5)11)13-7(17)14-8-15-16-9(20-8)21(12,18)19;/h3*1-3H,(H4,12,13,14,15,17,18,19);/q;;;+3/p-3