1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-27-12-11-25-20(15-7-3-2-4-8-15)23-24-21(25)28-14-19(26)17-13-22-18-10-6-5-9-16(17)18/h2-10,13,22H,11-12,14H2,1H3