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

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=CN3CCOC

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=CN3CCOC

InChI

InChI=1S/C16H18N4O2S/c1-11(23-16-19-18-10-20(16)7-8-22-2)15(21)13-9-17-14-6-4-3-5-12(13)14/h3-6,9-11,17H,7-8H2,1-2H3