oxidanylidene-[[1-[[4-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]methoxymethyl]pyridin-4-ylidene]methyl]azanium dithiocyanate

Systemtic Name: oxidanylidene-[[1-[[4-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]methoxymethyl]pyridin-4-ylidene]methyl]azanium dithiocyanate Openeye Name: oxo-[[1-[[4-(oxoammoniomethylene)-1-pyridyl]methoxymethyl]-4-pyridylidene]methyl]ammonium dithiocyanate CAS Name: oxo-[[1-[[4-(oxoammoniomethylidene)-1-pyridinyl]methoxymethyl]-4-pyridinylidene]methyl]ammonium dithiocyanate IUPAC Name: oxo-[[1-[[4-(oxoazaniumylmethylidene)pyridin-1-yl]methoxymethyl]pyridin-4-ylidene]methyl]azanium dithiocyanate Traditional Name: keto-[[1-[[4-(ketoammoniomethylene)-1-pyridyl]methoxymethyl]-4-pyridylidene]methyl]ammonium dithiocyanate Formula: C16H16N6O3S2 MolecularWeight: 404.46664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=CC1=C[NH+]=O)COCN2C=CC(=C[NH+]=O)C=C2.C(#N)[S-].C(#N)[S-]

Isomeric SMILES

C1=CN(C=CC1=C[NH+]=O)COCN2C=CC(=C[NH+]=O)C=C2.C(#N)[S-].C(#N)[S-]

InChI

InChI=1S/C14H14N4O3.2CHNS/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20;2*2-1-3/h1-10H,11-12H2;2*3H