3-(4-chlorophenyl)-2,5-dimethyl-7-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(4-chlorophenyl)-2,5-dimethyl-7-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 7-benzylsulfanyl-3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(4-chlorophenyl)-2,5-dimethyl-7-(phenylmethylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-benzylsulfanyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(benzylthio)-3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine Formula: C21H18ClN3S MolecularWeight: 379.90572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3S/c1-14-12-19(26-13-16-6-4-3-5-7-16)25-21(23-14)20(15(2)24-25)17-8-10-18(22)11-9-17/h3-12H,13H2,1-2H3