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

Systemtic Name: 3-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]pyrimidin-4-one Openeye Name: 3-[[5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyrimidin-4-one CAS Name: 3-[[5-[(3,5-dichlorophenyl)thio]-3-methyl-1-propan-2-yl-4-pyrazolyl]methyl]-4-pyrimidinone IUPAC Name: 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyrimidin-4-one Traditional Name: 3-[[5-[(3,5-dichlorophenyl)thio]-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyrimidin-4-one Formula: C18H18Cl2N4OS MolecularWeight: 409.33272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2C=NC=CC2=O)SC3=CC(=CC(=C3)Cl)Cl)C(C)C

Isomeric SMILES

CC1=NN(C(=C1CN2C=NC=CC2=O)SC3=CC(=CC(=C3)Cl)Cl)C(C)C

InChI

InChI=1S/C18H18Cl2N4OS/c1-11(2)24-18(26-15-7-13(19)6-14(20)8-15)16(12(3)22-24)9-23-10-21-5-4-17(23)25/h4-8,10-11H,9H2,1-3H3