N-[2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2-methoxy-benzamide Openeye Name: N-[2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2-methoxy-benzamide CAS Name: N-[2-butyl-8-[4-(phenylthio)phenyl]-4-pyrazolo[1,5-a][1,3,5]triazinyl]-2-methoxybenzamide IUPAC Name: N-[2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2-methoxybenzamide Traditional Name: N-[2-butyl-8-[4-(phenylthio)phenyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2-methoxy-benzamide Formula: C29H27N5O2S MolecularWeight: 509.62198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=NN2C(=N1)NC(=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(C=NN2C(=N1)NC(=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O2S/c1-3-4-14-26-31-27-24(20-15-17-22(18-16-20)37-21-10-6-5-7-11-21)19-30-34(27)29(32-26)33-28(35)23-12-8-9-13-25(23)36-2/h5-13,15-19H,3-4,14H2,1-2H3,(H,31,32,33,35)