3,3-dimethyl-1-[5-[(3-nitrophenyl)amino]-1,2,4-thiadiazol-3-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[5-[(3-nitrophenyl)amino]-1,2,4-thiadiazol-3-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[5-(3-nitroanilino)-1,2,4-thiadiazol-3-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[5-(3-nitroanilino)-1,2,4-thiadiazol-3-yl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[5-(3-nitroanilino)-1,2,4-thiadiazol-3-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[5-(3-nitroanilino)-1,2,4-thiadiazol-3-yl]butan-2-one Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1=NSC(=N1)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CC1=NSC(=N1)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-14(2,3)11(19)8-12-16-13(22-17-12)15-9-5-4-6-10(7-9)18(20)21/h4-7H,8H2,1-3H3,(H,15,16,17)