2,5-dimethyl-7-(naphthalen-1-ylmethylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2,5-dimethyl-7-(naphthalen-1-ylmethylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 2,5-dimethyl-7-(1-naphthylmethylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-7-(1-naphthalenylmethylthio)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 2,5-dimethyl-7-(naphthalen-1-ylmethylsulfanyl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 2,5-dimethyl-7-(1-naphthylmethylthio)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C25H21N3S MolecularWeight: 395.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC3=CC=CC4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC3=CC=CC4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3S/c1-17-15-23(29-16-21-13-8-12-19-9-6-7-14-22(19)21)28-25(26-17)24(18(2)27-28)20-10-4-3-5-11-20/h3-15H,16H2,1-2H3