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copper azanyl-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]azaniumylidene-methanethiolate hydrate

copper azanyl-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]azaniumylidene-methanethiolate hydrate

Systemtic Name:copper azanyl-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]azaniumylidene-methanethiolate hydrate
Openeye Name:copper amino-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]iminio-methanethiolate hydrate
CAS Name:copper amino-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]iminiomethanethiolate hydrate
IUPAC Name:copper amino-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]azaniumylidenemethanethiolate hydrate
Traditional Name:cupric amino-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]iminio-methanethiolate hydrate
Formula: C8H11CuN3O2S+2
MolecularWeight: 276.80284
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN[NH+]=C(N)[S-])C(=O)C=C1.O.[Cu+2]


Isomeric SMILES

C1=CC(=CN[NH+]=C(N)[S-])C(=O)C=C1.O.[Cu+2]


InChI

InChI=1S/C8H9N3OS.Cu.H2O/c9-8(13)11-10-5-6-3-1-2-4-7(6)12;;/h1-5,10H,(H3,9,11,13);;1H2/q;+2;


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