4-cyano-2-iodanyl-6-nitro-phenolate; 6-phenyl-3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium

Systemtic Name: 4-cyano-2-iodanyl-6-nitro-phenolate; 6-phenyl-3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium Openeye Name: 4-cyano-2-iodo-6-nitro-phenolate; 6-phenyl-3,4,5,6-tetrahydro-2H-imidazo[2,1-b]thiazol-4-ium CAS Name: 4-cyano-2-iodo-6-nitrophenolate; 6-phenyl-3,4,5,6-tetrahydro-2H-imidazo[2,1-b]thiazol-4-ium IUPAC Name: 4-cyano-2-iodo-6-nitrophenolate; 6-phenyl-3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium Traditional Name: 4-cyano-2-iodo-6-nitro-phenolate; 6-phenyl-3,4,5,6-tetrahydro-2H-imidazo[2,1-b]thiazol-4-ium Formula: C18H15IN4O3S MolecularWeight: 494.30617

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=NC(C[NH+]21)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])I)C#N

Isomeric SMILES

C1CSC2=NC(C[NH+]21)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])I)C#N

InChI

InChI=1S/C11H12N2S.C7H3IN2O3/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-5,10H,6-8H2;1-2,11H