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

Systemtic Name: 4-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]pyrimidine Openeye Name: 4-[[5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyrimidine CAS Name: 4-[[5-[(3,5-dichlorophenyl)thio]-3-methyl-1-propan-2-yl-4-pyrazolyl]methyl]pyrimidine IUPAC Name: 4-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyrimidine Traditional Name: 4-[[5-[(3,5-dichlorophenyl)thio]-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyrimidine Formula: C18H18Cl2N4S MolecularWeight: 393.33332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N4S/c1-11(2)24-18(25-16-7-13(19)6-14(20)8-16)17(12(3)23-24)9-15-4-5-21-10-22-15/h4-8,10-11H,9H2,1-3H3