nickel; [(2-oxidaniumylideneindol-3-yl)amino]-[(phenylmethylsulfanyl)-sulfaniumylidene-methyl]azanide

Systemtic Name: nickel; [(2-oxidaniumylideneindol-3-yl)amino]-[(phenylmethylsulfanyl)-sulfaniumylidene-methyl]azanide Openeye Name: [benzylsulfanyl(sulfoniumylidene)methyl]-[(2-oxoniumylideneindol-3-yl)amino]azanide; nickel CAS Name: nickel; [(2-oxoniumylidene-3-indolyl)amino]-[(phenylmethylthio)-sulfoniumylidenemethyl]azanide IUPAC Name: [benzylsulfanyl(sulfoniumylidene)methyl]-[(2-oxoniumylideneindol-3-yl)amino]azanide; nickel Traditional Name: [(benzylthio)-sulfoniumylidene-methyl]-[(2-oxoniumylideneindol-3-yl)amino]azanide; nickel Formula: C32H28N6NiO2S4+2 MolecularWeight: 715.55712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=[SH+])[N-]NC2=C3C=CC=CC3=NC2=[OH+].C1=CC=C(C=C1)CSC(=[SH+])[N-]NC2=C3C=CC=CC3=NC2=[OH+].[Ni]

Isomeric SMILES

C1=CC=C(C=C1)CSC(=[SH+])[N-]NC2=C3C=CC=CC3=NC2=[OH+].C1=CC=C(C=C1)CSC(=[SH+])[N-]NC2=C3C=CC=CC3=NC2=[OH+].[Ni]

InChI

InChI=1S/2C16H13N3OS2.Ni/c2*20-15-14(12-8-4-5-9-13(12)17-15)18-19-16(21)22-10-11-6-2-1-3-7-11;/h2*1-9H,10H2,(H2,17,18,19,20,21);/p+2