1-(1H-indol-3-yl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[[5-pyrrolidin-1-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[[4-(2-oxolanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[[5-pyrrolidino-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CC4CCCO4)N5CCCC5

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CC4CCCO4)N5CCCC5

InChI

InChI=1S/C22H27N5O2S/c1-15(20(28)18-13-23-19-9-3-2-8-17(18)19)30-22-25-24-21(26-10-4-5-11-26)27(22)14-16-7-6-12-29-16/h2-3,8-9,13,15-16,23H,4-7,10-12,14H2,1H3