ethyl 8-pyrrolidin-1-ylcarbonyl-4-sulfanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylate

Systemtic Name: ethyl 8-pyrrolidin-1-ylcarbonyl-4-sulfanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylate Openeye Name: ethyl 8-(pyrrolidine-1-carbonyl)-4-thioxo-imidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylate CAS Name: 8-[oxo(1-pyrrolidinyl)methyl]-4-sulfanylidene-3-imidazo[5,1-d][1,2,3,5]tetrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-(pyrrolidine-1-carbonyl)-4-sulfanylideneimidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylate Traditional Name: 8-(pyrrolidine-1-carbonyl)-4-thioxo-imidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylic acid ethyl ester Formula: C12H14N6O3S MolecularWeight: 322.34296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=S)N2C=NC(=C2N=N1)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)N1C(=S)N2C=NC(=C2N=N1)C(=O)N3CCCC3

InChI

InChI=1S/C12H14N6O3S/c1-2-21-12(20)18-11(22)17-7-13-8(9(17)14-15-18)10(19)16-5-3-4-6-16/h7H,2-6H2,1H3