tert-butyl 2,5-dimethyl-3,4-dithiocyanato-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2,5-dimethyl-3,4-dithiocyanato-pyrrole-1-carboxylate Openeye Name: tert-butyl 2,5-dimethyl-3,4-dithiocyanato-pyrrole-1-carboxylate CAS Name: 2,5-dimethyl-3,4-dithiocyanato-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,5-dimethyl-3,4-dithiocyanatopyrrole-1-carboxylate Traditional Name: 2,5-dimethyl-3,4-dithiocyanato-pyrrole-1-carboxylic acid tert-butyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C(=O)OC(C)(C)C)C)SC#N)SC#N

Isomeric SMILES

CC1=C(C(=C(N1C(=O)OC(C)(C)C)C)SC#N)SC#N

InChI

InChI=1S/C13H15N3O2S2/c1-8-10(19-6-14)11(20-7-15)9(2)16(8)12(17)18-13(3,4)5/h1-5H3