[(5-azanyl-4-methyl-isoquinolin-1-yl)methylideneamino]-[azanyl(sulfaniumylidene)methyl]azanide; nickel

Systemtic Name: [(5-azanyl-4-methyl-isoquinolin-1-yl)methylideneamino]-[azanyl(sulfaniumylidene)methyl]azanide; nickel Openeye Name: [(5-amino-4-methyl-1-isoquinolyl)methyleneamino]-[amino(sulfoniumylidene)methyl]azanide; nickel CAS Name: [(5-amino-4-methyl-1-isoquinolinyl)methylideneamino]-[amino(sulfoniumylidene)methyl]azanide; nickel IUPAC Name: [(5-amino-4-methylisoquinolin-1-yl)methylideneamino]-[amino(sulfoniumylidene)methyl]azanide; nickel Traditional Name: [(5-amino-4-methyl-1-isoquinolyl)methyleneamino]-[amino(sulfoniumylidene)methyl]azanide; nickel Formula: C24H26N10NiS2 MolecularWeight: 577.35364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)N)C=N[N-]C(=[SH+])N.CC1=CN=C(C2=C1C(=CC=C2)N)C=N[N-]C(=[SH+])N.[Ni]

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)N)C=N[N-]C(=[SH+])N.CC1=CN=C(C2=C1C(=CC=C2)N)C=N[N-]C(=[SH+])N.[Ni]

InChI

InChI=1S/2C12H13N5S.Ni/c2*1-7-5-15-10(6-16-17-12(14)18)8-3-2-4-9(13)11(7)8;/h2*2-6H,1H3,(H5,13,14,15,16,17,18);