1,3-benzothiazol-2-yl-(4-methoxyphenyl)azaniumylidene-methanethiolate; cobalt(2+); dichloride

Systemtic Name: 1,3-benzothiazol-2-yl-(4-methoxyphenyl)azaniumylidene-methanethiolate; cobalt(2+); dichloride Openeye Name: cobaltous 1,3-benzothiazol-2-yl-(4-methoxyphenyl)iminio-methanethiolate dichloride CAS Name: 1,3-benzothiazol-2-yl-(4-methoxyphenyl)iminiomethanethiolate; cobalt(2+); dichloride IUPAC Name: 1,3-benzothiazol-2-yl-(4-methoxyphenyl)azaniumylidenemethanethiolate; cobalt(2+); dichloride Traditional Name: cobaltous 1,3-benzothiazol-2-yl-(4-methoxyphenyl)iminio-methanethiolate dichloride Formula: C30H24Cl2CoN4O2S4 MolecularWeight: 730.63636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].COC1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].[Cl-].[Cl-].[Co+2]

Isomeric SMILES

COC1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].COC1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].[Cl-].[Cl-].[Co+2]

InChI

InChI=1S/2C15H12N2OS2.2ClH.Co/c2*1-18-11-8-6-10(7-9-11)16-14(19)15-17-12-4-2-3-5-13(12)20-15;;;/h2*2-9H,1H3,(H,16,19);2*1H;/q;;;;+2/p-2