2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]butanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[2-[(4-chlorophenyl)thio]phenyl]butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[2-[(4-chlorophenyl)thio]phenyl]butyramide Formula: C21H21Cl2N3OS MolecularWeight: 434.38194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C21H21Cl2N3OS/c1-4-18(26-14(3)20(23)13(2)25-26)21(27)24-17-7-5-6-8-19(17)28-16-11-9-15(22)10-12-16/h5-12,18H,4H2,1-3H3,(H,24,27)