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

Systemtic Name: 4-(5-methyl-3-pentylsulfanyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(5-methyl-3-pentylsulfanyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(pentylthio)-1-phenyl-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(5-methyl-3-pentylsulfanyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(amylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C25H27N5S MolecularWeight: 429.58038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5S/c1-3-4-11-18-31-24-23(19(2)30(29-24)21-14-9-6-10-15-21)22-16-17-26-25(28-22)27-20-12-7-5-8-13-20/h5-10,12-17H,3-4,11,18H2,1-2H3,(H,26,27,28)