(1Z)-2-chloranyl-N-pyrrolidin-1-ylcarbothioyl-benzenecarboximidate; cobalt(3+)

Systemtic Name: (1Z)-2-chloranyl-N-pyrrolidin-1-ylcarbothioyl-benzenecarboximidate; cobalt(3+) Openeye Name: cobaltic (1Z)-2-chloro-N-(pyrrolidine-1-carbothioyl)benzenecarboximidate CAS Name: (1Z)-2-chloro-N-[1-pyrrolidinyl(sulfanylidene)methyl]benzenecarboximidate; cobalt(3+) IUPAC Name: (1Z)-2-chloro-N-(pyrrolidine-1-carbothioyl)benzenecarboximidate; cobalt(3+) Traditional Name: cobaltic (1Z)-2-chloro-N-(pyrrolidine-1-carbothioyl)benzenecarboximidate Formula: C36H36Cl3CoN6O3S3 MolecularWeight: 862.19664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)N=C(C2=CC=CC=C2Cl)[O-].C1CCN(C1)C(=S)N=C(C2=CC=CC=C2Cl)[O-].C1CCN(C1)C(=S)N=C(C2=CC=CC=C2Cl)[O-].[Co+3]

Isomeric SMILES

C1CN(CC1)C(=S)/N=C(\[O-])/C2=CC=CC=C2Cl.C1CN(CC1)C(=S)/N=C(\[O-])/C2=CC=CC=C2Cl.C1CN(CC1)C(=S)/N=C(\[O-])/C2=CC=CC=C2Cl.[Co+3]

InChI

InChI=1S/3C12H13ClN2OS.Co/c3*13-10-6-2-1-5-9(10)11(16)14-12(17)15-7-3-4-8-15;/h3*1-2,5-6H,3-4,7-8H2,(H,14,16,17);/q;;;+3/p-3