5-tert-butyl-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione Formula: C17H18ClN3S MolecularWeight: 331.86292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=CC(=S)N2N1)C(C)(C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=NC(=CC(=S)N2N1)C(C)(C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3S/c1-10-15(11-5-7-12(18)8-6-11)16-19-13(17(2,3)4)9-14(22)21(16)20-10/h5-9,20H,1-4H3