1,3-benzothiazole-2-thiolate; chloranylrhenium

Systemtic Name: 1,3-benzothiazole-2-thiolate; chloranylrhenium Openeye Name: 1,3-benzothiazole-2-thiolate; chlororhenium CAS Name: 1,3-benzothiazole-2-thiolate; chlororhenium IUPAC Name: 1,3-benzothiazole-2-thiolate; chlororhenium Traditional Name: 1,3-benzothiazole-2-thiolate; chlororhenium Formula: C28H16Cl2N4Re2S8-4 MolecularWeight: 1108.29344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].Cl[Re].Cl[Re]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].Cl[Re].Cl[Re]

InChI

InChI=1S/4C7H5NS2.2ClH.2Re/c4*9-7-8-5-3-1-2-4-6(5)10-7;;;;/h4*1-4H,(H,8,9);2*1H;;/q;;;;;;2*+1/p-6