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

Systemtic Name: 1-(1H-indol-3-yl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone CAS Name: 1-(1H-indol-3-yl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-2-phenyl-ethanone Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N5OS/c1-2-16-31-25(19-12-14-27-15-13-19)29-30-26(31)33-24(18-8-4-3-5-9-18)23(32)21-17-28-22-11-7-6-10-20(21)22/h2-15,17,24,28H,1,16H2