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

Systemtic Name: 2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-prop-2-enylsulfanyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-allylsulfanyl-6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 6-benzyl-2,5-dimethyl-3-phenyl-7-prop-2-enylsulfanylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(allylthio)-6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C24H23N3S MolecularWeight: 385.52452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC=C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC=C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3S/c1-4-15-28-24-21(16-19-11-7-5-8-12-19)17(2)25-23-22(18(3)26-27(23)24)20-13-9-6-10-14-20/h4-14H,1,15-16H2,2-3H3