3-(cyclohexylsulfonylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

Systemtic Name: 3-(cyclohexylsulfonylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 3-(cyclohexylsulfonylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 3-(cyclohexylsulfonylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 3-(cyclohexylsulfonylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 3-(cyclohexylsulfonylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)CC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)CC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O2S/c27-29(28,17-11-5-2-6-12-17)15-20-23-24-22-19-14-8-7-13-18(19)21(25-26(20)22)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2