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

Systemtic Name: 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)azaniumylidene-methanethiolate; cobalt(2+) Openeye Name: cobaltous 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)iminio-methanethiolate CAS Name: 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)iminiomethanethiolate; cobalt(2+) IUPAC Name: 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)azaniumylidenemethanethiolate; cobalt(2+) Traditional Name: cobaltous 1,3-benzothiazol-2-yl(p-phenetyliminio)methanethiolate Formula: C32H28CoN4O2S4+2 MolecularWeight: 687.78352

Click to see the large picture

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-].[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-].[Co+2]

InChI

InChI=1S/2C16H14N2OS2.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);/q;;+2