2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)butanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[2-(phenylthio)phenyl]butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[2-(phenylthio)phenyl]butyramide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c1-4-18(25-15(3)20(22)14(2)24-25)21(26)23-17-12-8-9-13-19(17)27-16-10-6-5-7-11-16/h5-13,18H,4H2,1-3H3,(H,23,26)