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

Systemtic Name: 5-(4-chloranyl-2-methyl-phenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione; nickel(2+) Openeye Name: nickelous 5-(4-chloro-2-methyl-phenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione CAS Name: 5-(4-chloro-2-methylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione; nickel(2+) IUPAC Name: 5-(4-chloro-2-methylphenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione; nickel(2+) Traditional Name: nickelous 5-(4-chloro-2-methyl-phenyl)-1-oxa-4-aza-3-azanidacyclopent-4-ene-2-thione Formula: C18H12Cl2N4NiO2S2 MolecularWeight: 510.04288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H7ClN2OS.Ni/c2*1-5-4-6(10)2-3-7(5)8-11-12-9(14)13-8;/h2*2-4H,1H3,(H,12,14);/q;;+2/p-2