4-[3-methylsulfanyl-1-phenyl-5-(piperazin-1-ylmethyl)pyrazol-4-yl]-N-phenyl-pyridin-2-amine

Systemtic Name: 4-[3-methylsulfanyl-1-phenyl-5-(piperazin-1-ylmethyl)pyrazol-4-yl]-N-phenyl-pyridin-2-amine Openeye Name: 4-[3-methylsulfanyl-1-phenyl-5-(piperazin-1-ylmethyl)pyrazol-4-yl]-N-phenyl-pyridin-2-amine CAS Name: 4-[3-(methylthio)-1-phenyl-5-(1-piperazinylmethyl)-4-pyrazolyl]-N-phenyl-2-pyridinamine IUPAC Name: 4-[3-methylsulfanyl-1-phenyl-5-(piperazin-1-ylmethyl)pyrazol-4-yl]-N-phenylpyridin-2-amine Traditional Name: [4-[3-(methylthio)-1-phenyl-5-(piperazinomethyl)pyrazol-4-yl]-2-pyridyl]-phenyl-amine Formula: C26H28N6S MolecularWeight: 456.60572

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C2=CC(=NC=C2)NC3=CC=CC=C3)CN4CCNCC4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NN(C(=C1C2=CC(=NC=C2)NC3=CC=CC=C3)CN4CCNCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6S/c1-33-26-25(20-12-13-28-24(18-20)29-21-8-4-2-5-9-21)23(19-31-16-14-27-15-17-31)32(30-26)22-10-6-3-7-11-22/h2-13,18,27H,14-17,19H2,1H3,(H,28,29)