copper [[2-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylidene]hydrazinyl]-sulfaniumylidene-methyl]-(4-methylphenyl)azanide

Systemtic Name: copper [[2-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylidene]hydrazinyl]-sulfaniumylidene-methyl]-(4-methylphenyl)azanide Openeye Name: copper [[2-[(3-methoxy-2-oxonio-5-phenylazo-phenyl)methylene]hydrazino]-sulfoniumylidene-methyl]-(p-tolyl)azanide CAS Name: copper [[2-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-sulfoniumylidenemethyl]-(4-methylphenyl)azanide IUPAC Name: copper [[2-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-sulfoniumylidenemethyl]-(4-methylphenyl)azanide Traditional Name: cupric [[N'-(3-methoxy-2-oxonio-5-phenylazo-benzylidene)hydrazino]-sulfoniumylidene-methyl]-(p-tolyl)azanide Formula: C44H44CuN10O4S2+4 MolecularWeight: 904.56076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N-]C(=[SH+])NN=CC2=CC(=CC(=C2[OH2+])OC)N=NC3=CC=CC=C3.CC1=CC=C(C=C1)[N-]C(=[SH+])NN=CC2=CC(=CC(=C2[OH2+])OC)N=NC3=CC=CC=C3.[Cu+2]

Isomeric SMILES

CC1=CC=C(C=C1)[N-]C(=[SH+])NN=CC2=CC(=CC(=C2[OH2+])OC)N=NC3=CC=CC=C3.CC1=CC=C(C=C1)[N-]C(=[SH+])NN=CC2=CC(=CC(=C2[OH2+])OC)N=NC3=CC=CC=C3.[Cu+2]

InChI

InChI=1S/2C22H21N5O2S.Cu/c2*1-15-8-10-17(11-9-15)24-22(30)27-23-14-16-12-19(13-20(29-2)21(16)28)26-25-18-6-4-3-5-7-18;/h2*3-14H,1-2H3,(H3,23,24,25,26,27,28,30);/q;;+2/p+2