S-(4-cyano-9-oxidanylidene-xanthen-3-yl) N,N-dimethylcarbamothioate

Systemtic Name: S-(4-cyano-9-oxidanylidene-xanthen-3-yl) N,N-dimethylcarbamothioate Openeye Name: S-(4-cyano-9-oxo-xanthen-3-yl) N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[(4-cyano-9-oxo-3-xanthenyl)] ester IUPAC Name: S-(4-cyano-9-oxoxanthen-3-yl) N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-(4-cyano-9-keto-xanthen-3-yl) ester Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)C#N

Isomeric SMILES

CN(C)C(=O)SC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)C#N

InChI

InChI=1S/C17H12N2O3S/c1-19(2)17(21)23-14-8-7-11-15(20)10-5-3-4-6-13(10)22-16(11)12(14)9-18/h3-8H,1-2H3