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

Systemtic Name: 6-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-methyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-methyl-3-(3-pyrrolidinosulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C20H19N5O2S/c1-14-17-9-2-3-10-18(17)20-22-21-19(25(20)23-14)15-7-6-8-16(13-15)28(26,27)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12H2,1H3