S-hexyl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioate

Systemtic Name: S-hexyl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioate Openeye Name: S-hexyl 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioate CAS Name: 3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarbothioic acid S-hexyl ester IUPAC Name: S-hexyl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioate Traditional Name: 4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioic acid S-hexyl ester Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=O)C1=C2N=NN(C(=O)N2C=N1)C

Isomeric SMILES

CCCCCCSC(=O)C1=C2N=NN(C(=O)N2C=N1)C

InChI

InChI=1S/C12H17N5O2S/c1-3-4-5-6-7-20-11(18)9-10-14-15-16(2)12(19)17(10)8-13-9/h8H,3-7H2,1-2H3