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

Systemtic Name: 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CSC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CSC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS2/c1-2-25-20(14-27-15-8-4-3-5-9-15)23-24-21(25)28-13-19(26)17-12-22-18-11-7-6-10-16(17)18/h3-12,22H,2,13-14H2,1H3