3-methyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-3-nitrososulfanyl-butanamide

Systemtic Name: 3-methyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-3-nitrososulfanyl-butanamide Openeye Name: 3-methyl-N-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonyl-3-nitrososulfanyl-butanamide CAS Name: 3-methyl-N-[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl-3-(nitrosothio)butanamide IUPAC Name: 3-methyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-3-nitrososulfanylbutanamide Traditional Name: 3-methyl-N-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonyl-3-(nitrosothio)butyramide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)CC(C)(C)SN=O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)CC(C)(C)SN=O

InChI

InChI=1S/C21H21N3O5S2/c1-14-19(20(22-29-14)16-7-5-4-6-8-16)15-9-11-17(12-10-15)31(27,28)23-18(25)13-21(2,3)30-24-26/h4-12H,13H2,1-3H3,(H,23,25)