5-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione Formula: C16H16ClN3S MolecularWeight: 317.83634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=S)N2C(=N1)C(=CN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=S)N2C(=N1)C(=CN2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN3S/c1-16(2,3)13-8-14(21)20-15(19-13)12(9-18-20)10-4-6-11(17)7-5-10/h4-9,18H,1-3H3