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

Systemtic Name: 3-[[5-(3-chloranyl-5-oxidanyl-phenyl)sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]pyrimidin-4-one Openeye Name: 3-[[5-(3-chloro-5-hydroxy-phenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyrimidin-4-one CAS Name: 3-[[5-[(3-chloro-5-hydroxyphenyl)thio]-3-methyl-1-propan-2-yl-4-pyrazolyl]methyl]-4-pyrimidinone IUPAC Name: 3-[[5-(3-chloro-5-hydroxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyrimidin-4-one Traditional Name: 3-[[5-[(3-chloro-5-hydroxy-phenyl)thio]-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyrimidin-4-one Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2S/c1-11(2)23-18(26-15-7-13(19)6-14(24)8-15)16(12(3)21-23)9-22-10-20-5-4-17(22)25/h4-8,10-11,24H,9H2,1-3H3