5-butyl-7-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-butyl-7-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyrazolo[1,5-a]pyrimidine Openeye Name: 5-butyl-7-[(E)-2-(4-methylsulfanylphenyl)vinyl]pyrazolo[1,5-a]pyrimidine CAS Name: 5-butyl-7-[(E)-2-[4-(methylthio)phenyl]ethenyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-butyl-7-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyrazolo[1,5-a]pyrimidine Traditional Name: 5-butyl-7-[(E)-2-[4-(methylthio)phenyl]vinyl]pyrazolo[1,5-a]pyrimidine Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=NN2C(=C1)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCC1=NC2=CC=NN2C(=C1)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H21N3S/c1-3-4-5-16-14-17(22-19(21-16)12-13-20-22)9-6-15-7-10-18(23-2)11-8-15/h6-14H,3-5H2,1-2H3/b9-6+