N-(4-chlorophenyl)-4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C21H18ClN5S MolecularWeight: 407.91912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5S/c1-14-19(20(28-2)26-27(14)17-6-4-3-5-7-17)18-12-13-23-21(25-18)24-16-10-8-15(22)9-11-16/h3-13H,1-2H3,(H,23,24,25)