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

Systemtic Name: (2S)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone Openeye Name: (2S)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone CAS Name: (2S)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)-2-phenylethanone IUPAC Name: (2S)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)-2-phenylethanone Traditional Name: (2S)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-2-phenyl-ethanone Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN=C1S[C@@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C25H21N5OS/c1-2-30-24(18-12-14-26-15-13-18)28-29-25(30)32-23(17-8-4-3-5-9-17)22(31)20-16-27-21-11-7-6-10-19(20)21/h3-16,23,27H,2H2,1H3/t23-/m0/s1