6-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]pyridine-3-carbonitrile Openeye Name: 6-[[5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine-3-carbonitrile CAS Name: 6-[[5-[(3,5-dichlorophenyl)thio]-3-methyl-1-propan-2-yl-4-pyrazolyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 6-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine-3-carbonitrile Traditional Name: 6-[[5-[(3,5-dichlorophenyl)thio]-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]nicotinonitrile Formula: C20H18Cl2N4S MolecularWeight: 417.35472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N4S/c1-12(2)26-20(27-18-7-15(21)6-16(22)8-18)19(13(3)25-26)9-17-5-4-14(10-23)11-24-17/h4-8,11-12H,9H2,1-3H3