1-[(2-chlorophenyl)methylsulfanyl]-4-(3,5-dimethylpyrazol-1-yl)phthalazine

Systemtic Name: 1-[(2-chlorophenyl)methylsulfanyl]-4-(3,5-dimethylpyrazol-1-yl)phthalazine Openeye Name: 1-[(2-chlorophenyl)methylsulfanyl]-4-(3,5-dimethylpyrazol-1-yl)phthalazine CAS Name: 1-[(2-chlorophenyl)methylthio]-4-(3,5-dimethyl-1-pyrazolyl)phthalazine IUPAC Name: 1-[(2-chlorophenyl)methylsulfanyl]-4-(3,5-dimethylpyrazol-1-yl)phthalazine Traditional Name: 1-[(2-chlorobenzyl)thio]-4-(3,5-dimethylpyrazol-1-yl)phthalazine Formula: C20H17ClN4S MolecularWeight: 380.89378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC4=CC=CC=C4Cl)C

InChI

InChI=1S/C20H17ClN4S/c1-13-11-14(2)25(24-13)19-16-8-4-5-9-17(16)20(23-22-19)26-12-15-7-3-6-10-18(15)21/h3-11H,12H2,1-2H3