4-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]benzonitrile CAS Name: 4-[[5-[(3,5-dichlorophenyl)thio]-3-methyl-1-propan-2-yl-4-pyrazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(3,5-dichlorophenyl)thio]-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]benzonitrile Formula: C21H19Cl2N3S MolecularWeight: 416.36666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CC2=CC=C(C=C2)C#N)SC3=CC(=CC(=C3)Cl)Cl)C(C)C

Isomeric SMILES

CC1=NN(C(=C1CC2=CC=C(C=C2)C#N)SC3=CC(=CC(=C3)Cl)Cl)C(C)C

InChI

InChI=1S/C21H19Cl2N3S/c1-13(2)26-21(27-19-10-17(22)9-18(23)11-19)20(14(3)25-26)8-15-4-6-16(12-24)7-5-15/h4-7,9-11,13H,8H2,1-3H3