5-(4-methyl-2-propan-2-yl-phenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione; nickel(2+)

Systemtic Name: 5-(4-methyl-2-propan-2-yl-phenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione; nickel(2+) Openeye Name: nickelous 5-(2-isopropyl-4-methyl-phenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione CAS Name: 5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione; nickel(2+) IUPAC Name: 5-(4-methyl-2-propan-2-ylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione; nickel(2+) Traditional Name: nickelous 5-(2-isopropyl-4-methyl-phenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione Formula: C24H26N4NiO2S2 MolecularWeight: 525.31224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=N[N-]C(=S)O2)C(C)C.CC1=CC(=C(C=C1)C2=N[N-]C(=S)O2)C(C)C.[Ni+2]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=N[N-]C(=S)O2)C(C)C.CC1=CC(=C(C=C1)C2=N[N-]C(=S)O2)C(C)C.[Ni+2]

InChI

InChI=1S/2C12H14N2OS.Ni/c2*1-7(2)10-6-8(3)4-5-9(10)11-13-14-12(16)15-11;/h2*4-7H,1-3H3,(H,14,16);/q;;+2/p-2