copper 4-methyl-2-oxidanylidene-8-[(E)-(3-propyl-5-sulfanidyl-1,2,4-triazol-4-yl)iminomethyl]chromen-7-olate

Systemtic Name: copper 4-methyl-2-oxidanylidene-8-[(E)-(3-propyl-5-sulfanidyl-1,2,4-triazol-4-yl)iminomethyl]chromen-7-olate Openeye Name: copper 4-methyl-2-oxo-8-[(E)-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)iminomethyl]chromen-7-olate CAS Name: copper 4-methyl-2-oxo-8-[(E)-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)iminomethyl]-1-benzopyran-7-olate IUPAC Name: copper 4-methyl-2-oxo-8-[(E)-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)iminomethyl]chromen-7-olate Traditional Name: cupric 2-keto-4-methyl-8-[(E)-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)iminomethyl]chromen-7-olate Formula: C16H14CuN4O3S MolecularWeight: 405.91836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N=CC2=C(C=CC3=C2OC(=O)C=C3C)[O-])[S-].[Cu+2]

Isomeric SMILES

CCCC1=NN=C(N1/N=C/C2=C(C=CC3=C2OC(=O)C=C3C)[O-])[S-].[Cu+2]

InChI

InChI=1S/C16H16N4O3S.Cu/c1-3-4-13-18-19-16(24)20(13)17-8-11-12(21)6-5-10-9(2)7-14(22)23-15(10)11;/h5-8,21H,3-4H2,1-2H3,(H,19,24);/q;+2/p-2/b17-8+;