N,N-dimethyl-4-[(3Z)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]naphthalene-1-carboxamide

Systemtic Name: N,N-dimethyl-4-[(3Z)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]naphthalene-1-carboxamide Openeye Name: 4-[(3Z)-3-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]-N,N-dimethyl-naphthalene-1-carboxamide CAS Name: 4-[(3Z)-3-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]-N,N-dimethyl-1-naphthalenecarboxamide IUPAC Name: 4-[(3Z)-3-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]-N,N-dimethylnaphthalene-1-carboxamide Traditional Name: 4-[(3Z)-3-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]-N,N-dimethyl-1-naphthamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C2=CC=CC=C21)N3C(=C4C=CC(=O)C=C4O)NNC3=S

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C2=CC=CC=C21)N3/C(=C/4\C=CC(=O)C=C4O)/NNC3=S

InChI

InChI=1S/C21H18N4O3S/c1-24(2)20(28)15-9-10-17(14-6-4-3-5-13(14)15)25-19(22-23-21(25)29)16-8-7-12(26)11-18(16)27/h3-11,22,27H,1-2H3,(H,23,29)/b19-16+