[3,5-dimethyl-1,1-bis(oxidanylidene)-2-phenyl-4-thiocyanato-1,2-thiazin-6-yl] thiocyanate

Systemtic Name: [3,5-dimethyl-1,1-bis(oxidanylidene)-2-phenyl-4-thiocyanato-1,2-thiazin-6-yl] thiocyanate Openeye Name: (3,5-dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate CAS Name: thiocyanic acid (3,5-dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-6-thiazinyl) ester IUPAC Name: (3,5-dimethyl-1,1-dioxo-2-phenyl-4-thiocyanatothiazin-6-yl) thiocyanate Traditional Name: thiocyanic acid (1,1-diketo-3,5-dimethyl-2-phenyl-4-thiocyanato-thiazin-6-yl) ester Formula: C14H11N3O2S3 MolecularWeight: 349.45104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(S(=O)(=O)N(C(=C1SC#N)C)C2=CC=CC=C2)SC#N

Isomeric SMILES

CC1=C(S(=O)(=O)N(C(=C1SC#N)C)C2=CC=CC=C2)SC#N

InChI

InChI=1S/C14H11N3O2S3/c1-10-13(20-8-15)11(2)17(12-6-4-3-5-7-12)22(18,19)14(10)21-9-16/h3-7H,1-2H3