3,8b-dimethyl-6-nitro-1-phenyl-3aH-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide

Systemtic Name: 3,8b-dimethyl-6-nitro-1-phenyl-3aH-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide Openeye Name: 3,8b-dimethyl-6-nitro-1-phenyl-3aH-benzothiopheno[3,2-c]pyrazole 4,4-dioxide CAS Name: 3,8b-dimethyl-6-nitro-1-phenyl-3aH-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide IUPAC Name: 3,8b-dimethyl-6-nitro-1-phenyl-3aH-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide Traditional Name: 3,8b-dimethyl-6-nitro-1-phenyl-3aH-benzothiopheno[3,2-c]pyrazole 4,4-dioxide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2(C1S(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2(C1S(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

InChI=1S/C17H15N3O4S/c1-11-16-17(2,19(18-11)12-6-4-3-5-7-12)14-9-8-13(20(21)22)10-15(14)25(16,23)24/h3-10,16H,1-2H3