1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CCOC)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CCOC)C4=CC=NC=C4

InChI

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