1-(6-chloranylpyridazin-3-yl)-7,7-dimethyl-3-(thiophen-2-ylmethyl)-5,6-dihydroindazol-4-one

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-7,7-dimethyl-3-(thiophen-2-ylmethyl)-5,6-dihydroindazol-4-one Openeye Name: 1-(6-chloropyridazin-3-yl)-7,7-dimethyl-3-(2-thienylmethyl)-5,6-dihydroindazol-4-one CAS Name: 1-(6-chloro-3-pyridazinyl)-7,7-dimethyl-3-(thiophen-2-ylmethyl)-5,6-dihydroindazol-4-one IUPAC Name: 1-(6-chloropyridazin-3-yl)-7,7-dimethyl-3-(thiophen-2-ylmethyl)-5,6-dihydroindazol-4-one Traditional Name: 1-(6-chloropyridazin-3-yl)-7,7-dimethyl-3-(2-thenyl)-5,6-dihydroindazol-4-one Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1N(N=C2CC3=CC=CS3)C4=NN=C(C=C4)Cl)C

Isomeric SMILES

CC1(CCC(=O)C2=C1N(N=C2CC3=CC=CS3)C4=NN=C(C=C4)Cl)C

InChI

InChI=1S/C18H17ClN4OS/c1-18(2)8-7-13(24)16-12(10-11-4-3-9-25-11)22-23(17(16)18)15-6-5-14(19)20-21-15/h3-6,9H,7-8,10H2,1-2H3