2-chloranyl-N-[2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylphenyl]ethanamide

Systemtic Name: 2-chloranyl-N-[2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylphenyl]ethanamide Openeye Name: 2-chloro-N-[2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylphenyl]acetamide CAS Name: 2-chloro-N-[2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)thio]phenyl]acetamide IUPAC Name: 2-chloro-N-[2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylphenyl]acetamide Traditional Name: 2-chloro-N-[2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)thio]phenyl]acetamide Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=CC=C2NC(=O)CCl)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=CC=C2NC(=O)CCl)C

InChI

InChI=1S/C13H13ClN4O3S/c1-8-12(18(20)21)13(17(2)16-8)22-10-6-4-3-5-9(10)15-11(19)7-14/h3-6H,7H2,1-2H3,(H,15,19)