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

Systemtic Name: 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)azaniumylidene-methanethiolate; cobalt(2+); dichloride Openeye Name: cobaltous 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)iminio-methanethiolate dichloride CAS Name: 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)iminiomethanethiolate; cobalt(2+); dichloride IUPAC Name: 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)azaniumylidenemethanethiolate; cobalt(2+); dichloride Traditional Name: cobaltous 1,3-benzothiazol-2-yl(p-phenetyliminio)methanethiolate dichloride Formula: C32H28Cl2CoN4O2S4 MolecularWeight: 758.68952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].CCOC1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].[Cl-].[Cl-].[Co+2]

Isomeric SMILES

CCOC1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].CCOC1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].[Cl-].[Cl-].[Co+2]

InChI

InChI=1S/2C16H14N2OS2.2ClH.Co/c2*1-2-19-12-9-7-11(8-10-12)17-15(20)16-18-13-5-3-4-6-14(13)21-16;;;/h2*3-10H,2H2,1H3,(H,17,20);2*1H;/q;;;;+2/p-2