7-butylsulfanyl-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-butylsulfanyl-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 6-benzyl-7-butylsulfanyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(butylthio)-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 6-benzyl-7-butylsulfanyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-benzyl-7-(butylthio)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C25H27N3S MolecularWeight: 401.56698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCSC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3S/c1-4-5-16-29-25-22(17-20-12-8-6-9-13-20)18(2)26-24-23(19(3)27-28(24)25)21-14-10-7-11-15-21/h6-15H,4-5,16-17H2,1-3H3