copper 3-(phenylazanylmethyl)-1,3-benzoxazol-2-one dithiocyanate

Systemtic Name: copper 3-(phenylazanylmethyl)-1,3-benzoxazol-2-one dithiocyanate Openeye Name: copper 3-(anilinomethyl)-1,3-benzoxazol-2-one dithiocyanate CAS Name: copper 3-(anilinomethyl)-1,3-benzoxazol-2-one dithiocyanate IUPAC Name: copper 3-(anilinomethyl)-1,3-benzoxazol-2-one dithiocyanate Traditional Name: cupric 3-(anilinomethyl)-1,3-benzoxazol-2-one dithiocyanate Formula: C30H24CuN6O4S2 MolecularWeight: 660.22536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C(#N)[S-].C(#N)[S-].[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C(#N)[S-].C(#N)[S-].[Cu+2]

InChI

InChI=1S/2C14H12N2O2.2CHNS.Cu/c2*17-14-16(10-15-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14;2*2-1-3;/h2*1-9,15H,10H2;2*3H;/q;;;;+2/p-2