7-chloranyl-2-methylsulfanyl-3-(phenylsulfonyl)-5-propyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-chloranyl-2-methylsulfanyl-3-(phenylsulfonyl)-5-propyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-7-chloro-2-methylsulfanyl-5-propyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-7-chloro-2-(methylthio)-5-propylpyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-7-chloro-2-methylsulfanyl-5-propylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-7-chloro-2-(methylthio)-5-propyl-pyrazolo[1,5-a]pyrimidine Formula: C16H16ClN3O2S2 MolecularWeight: 381.90014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)Cl)SC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)Cl)SC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16ClN3O2S2/c1-3-7-11-10-13(17)20-15(18-11)14(16(19-20)23-2)24(21,22)12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3