4-[5-methyl-1-phenyl-3-(phenylmethylsulfanyl)pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-[5-methyl-1-phenyl-3-(phenylmethylsulfanyl)pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(3-benzylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-1-phenyl-3-(phenylmethylthio)-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(3-benzylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(benzylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C27H23N5S MolecularWeight: 449.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SCC3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SCC3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H23N5S/c1-20-25(24-17-18-28-27(30-24)29-22-13-7-3-8-14-22)26(33-19-21-11-5-2-6-12-21)31-32(20)23-15-9-4-10-16-23/h2-18H,19H2,1H3,(H,28,29,30)