copper; azane; azanidylidenemethanethiolate; quinoline; thiocyanic acid

Systemtic Name: copper; azane; azanidylidenemethanethiolate; quinoline; thiocyanic acid Openeye Name: copper; ammonia; azanidylidenemethanethiolate; quinoline; thiocyanic acid CAS Name: copper; ammonia; azanidylidenemethanethiolate; quinoline; thiocyanic acid IUPAC Name: copper; azane; azanidylidenemethanethiolate; quinoline; thiocyanic acid Traditional Name: cupric; amidylidenemethanethiolate; ammonia; quinoline; thiocyanic acid Formula: C32H38CuN12S5-2 MolecularWeight: 814.59552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=N2.C1=CC=C2C(=C1)C=CC=N2.C1=CC=C2C(=C1)C=CC=N2.C(=[N-])[S-].C(=[N-])[S-].C(#N)S.C(#N)S.C(#N)S.N.N.N.N.[Cu+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=N2.C1=CC=C2C(=C1)C=CC=N2.C1=CC=C2C(=C1)C=CC=N2.C(=[N-])[S-].C(=[N-])[S-].C(#N)S.C(#N)S.C(#N)S.N.N.N.N.[Cu+2]

InChI

InChI=1S/3C9H7N.2CH2NS.3CHNS.Cu.4H3N/c3*1-2-6-9-8(4-1)5-3-7-10-9;5*2-1-3;;;;;/h3*1-7H;2*1H,(H-,2,3);3*3H;;4*1H3/q;;;2*-1;;;;+2;;;;/p-2