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

Systemtic Name: 1-(1H-indol-3-yl)-2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)ethanone Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-2-12-26-21(13-16-8-4-3-5-9-16)24-25-22(26)28-15-20(27)18-14-23-19-11-7-6-10-17(18)19/h3-11,14,23H,2,12-13,15H2,1H3