[5-(isocyanomethyl)-3,6-dimethoxy-9-(phenylmethyl)-9H-thioxanthen-4-yl]methyliminoplatinum

Systemtic Name: [5-(isocyanomethyl)-3,6-dimethoxy-9-(phenylmethyl)-9H-thioxanthen-4-yl]methyliminoplatinum Openeye Name: [9-benzyl-5-(isocyanomethyl)-3,6-dimethoxy-9H-thioxanthen-4-yl]methyliminoplatinum CAS Name: [5-(isocyanomethyl)-3,6-dimethoxy-9-(phenylmethyl)-9H-thioxanthen-4-yl]methyliminoplatinum IUPAC Name: [9-benzyl-5-(isocyanomethyl)-3,6-dimethoxy-9H-thioxanthen-4-yl]methyliminoplatinum Traditional Name: [9-benzyl-5-(isocyanomethyl)-3,6-dimethoxy-9H-thioxanthen-4-yl]methyliminoplatinum Formula: C25H22N2O2PtS MolecularWeight: 609.59738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(C3=C(S2)C(=C(C=C3)OC)C[N+]#[C-])CC4=CC=CC=C4)CN=[Pt]

Isomeric SMILES

COC1=C(C2=C(C=C1)C(C3=C(S2)C(=C(C=C3)OC)C[N+]#[C-])CC4=CC=CC=C4)CN=[Pt]

InChI

InChI=1S/C25H22N2O2S.Pt/c1-27-15-21-23(29-3)12-10-18-19(13-16-7-5-4-6-8-16)17-9-11-22(28-2)20(14-26)24(17)30-25(18)21;/h4-12,19H,13-15H2,2-3H3;