6-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine

Systemtic Name: 6-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-methyl-3-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-methyl-3-(4-methyl-3-pyrrolidinosulfonyl-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C21H21N5O2S/c1-14-9-10-16(13-19(14)29(27,28)25-11-5-6-12-25)20-22-23-21-18-8-4-3-7-17(18)15(2)24-26(20)21/h3-4,7-10,13H,5-6,11-12H2,1-2H3