4-[[2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]ethanoylhydrazinylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[[2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]ethanoylhydrazinylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[[[2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]acetyl]hydrazono]methyl]-2-nitro-phenolate CAS Name: 4-[[[2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]-1-oxoethyl]hydrazinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[[[2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetyl]hydrazinylidene]methyl]-2-nitrophenolate Traditional Name: 4-[[[2-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]acetyl]hydrazono]methyl]-2-nitro-phenolate Formula: C20H18N5O5S- MolecularWeight: 440.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NN=CC4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NN=CC4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-11-2-4-13-16(6-11)31-19-18(13)20(28)24(10-21-19)9-17(27)23-22-8-12-3-5-15(26)14(7-12)25(29)30/h3,5,7-8,10-11,26H,2,4,6,9H2,1H3,(H,23,27)/p-1/t11-/m0/s1