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

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CC4CCCO4)C5=CC=CS5

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CC4CCCO4)C5=CC=CS5

InChI

InChI=1S/C22H22N4O2S2/c1-14(20(27)17-12-23-18-8-3-2-7-16(17)18)30-22-25-24-21(19-9-5-11-29-19)26(22)13-15-6-4-10-28-15/h2-3,5,7-9,11-12,14-15,23H,4,6,10,13H2,1H3