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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CNC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CNC4=CC=CC=C43)C5=CC=NC=C5

InChI

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