1-[(Z)-anthracen-9-ylmethylideneamino]-3-methyl-thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate

Systemtic Name: 1-[(Z)-anthracen-9-ylmethylideneamino]-3-methyl-thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Openeye Name: 1-[(Z)-9-anthrylmethyleneamino]-3-methyl-thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate CAS Name: 1-[(Z)-9-anthracenylmethylideneamino]-3-methylthiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate IUPAC Name: 1-[(Z)-anthracen-9-ylmethylideneamino]-3-methylthiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Traditional Name: 1-[(Z)-9-anthrylmethyleneamino]-3-methyl-thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Formula: C41H31F12N7P2RuS MolecularWeight: 1044.7951

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=C2C=CC=CC2=CC3=CC=CC=C31.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

CNC(=S)N/N=C\C1=C2C=CC=CC2=CC3=CC=CC=C31.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C17H15N3S.2C12H8N2.2F6P.Ru/c1-18-17(21)20-19-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h2-11H,1H3,(H2,18,20,21);2*1-8H;;;/q;;;2*-1;+2/b19-11-;;;;;