zinc 3-[(2E)-2-[(E)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)hydrazinylidene]-1,3-thiazol-3-yl]propanamide tetrachloride

Systemtic Name: zinc 3-[(2E)-2-[(E)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)hydrazinylidene]-1,3-thiazol-3-yl]propanamide tetrachloride Openeye Name: zinc 3-[(2E)-2-[(E)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)hydrazono]thiazol-3-yl]propanamide tetrachloride CAS Name: zinc 3-[(2E)-2-[(E)-(1-methyl-2-phenyl-3-indol-1-iumylidene)hydrazinylidene]-3-thiazolyl]propanamide tetrachloride IUPAC Name: zinc 3-[(2E)-2-[(E)-(1-methyl-2-phenylindol-1-ium-3-ylidene)hydrazinylidene]-1,3-thiazol-3-yl]propanamide tetrachloride Traditional Name: zinc 3-[(2E)-2-[(E)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)hydrazono]-4-thiazolin-3-yl]propionamide tetrachloride Formula: C42H40Cl4N10O2S2Zn MolecularWeight: 988.1838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=NN=C2N(C=CS2)CCC(=O)N)C3=CC=CC=C31)C4=CC=CC=C4.C[N+]1=C(C(=NN=C2N(C=CS2)CCC(=O)N)C3=CC=CC=C31)C4=CC=CC=C4.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

C[N+]1=C(/C(=N/N=C\2/SC=CN2CCC(=O)N)/C3=CC=CC=C13)C4=CC=CC=C4.C[N+]1=C(/C(=N/N=C\2/SC=CN2CCC(=O)N)/C3=CC=CC=C13)C4=CC=CC=C4.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C21H19N5OS.4ClH.Zn/c2*1-25-17-10-6-5-9-16(17)19(20(25)15-7-3-2-4-8-15)23-24-21-26(13-14-28-21)12-11-18(22)27;;;;;/h2*2-10,13-14H,11-12H2,1H3,(H-,22,27);4*1H;/q;;;;;;+2/p-2