N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C17H19N5O5S2 MolecularWeight: 437.49326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCOCCOC)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCOCCOC)C

InChI

InChI=1S/C17H19N5O5S2/c1-10-14(22(24)25)15(21(2)20-10)16(23)18-11-4-5-12-13(8-11)29-17(19-12)28-9-27-7-6-26-3/h4-5,8H,6-7,9H2,1-3H3,(H,18,23)