3-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC4=C(C=CC(=C4)C=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC4=C(C=CC(=C4)C=O)OC)C

InChI

InChI=1S/C22H20N4O2S/c1-14-10-15(2)26(25-14)21-18-6-4-5-7-19(18)22(24-23-21)29-13-17-11-16(12-27)8-9-20(17)28-3/h4-12H,13H2,1-3H3