(1E)-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one

Systemtic Name: (1E)-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one Openeye Name: (1E)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]-1-(1,3,3-trimethylindolin-2-ylidene)butan-2-one CAS Name: (1E)-3-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-(1,3,3-trimethyl-2-indolylidene)-2-butanone IUPAC Name: (1E)-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one Traditional Name: (1E)-3-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]-1-(1,3,3-trimethylindolin-2-ylidene)butan-2-one Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=C1C(C2=CC=CC=C2N1C)(C)C)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H29N3O3S2/c1-17(21(28)15-22-24(2,3)19-9-5-6-10-20(19)26(22)4)31-23-12-11-18(16-25-23)32(29,30)27-13-7-8-14-27/h5-6,9-12,15-17H,7-8,13-14H2,1-4H3/b22-15+