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

Systemtic Name: 1,3-benzothiazol-2-yl-(4-methoxyphenyl)azaniumylidene-methanethiolate; cobalt(2+) Openeye Name: cobaltous 1,3-benzothiazol-2-yl-(4-methoxyphenyl)iminio-methanethiolate CAS Name: 1,3-benzothiazol-2-yl-(4-methoxyphenyl)iminiomethanethiolate; cobalt(2+) IUPAC Name: 1,3-benzothiazol-2-yl-(4-methoxyphenyl)azaniumylidenemethanethiolate; cobalt(2+) Traditional Name: cobaltous 1,3-benzothiazol-2-yl-(4-methoxyphenyl)iminio-methanethiolate Formula: C30H24CoN4O2S4+2 MolecularWeight: 659.73036

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

InChI

InChI=1S/2C15H12N2OS2.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);/q;;+2