1-(7-ethyl-1H-indol-3-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-phenylethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-ethanone Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)SC4=NN=C(N4C)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)SC4=NN=C(N4C)C5=CC=NC=C5

InChI

InChI=1S/C26H23N5OS/c1-3-17-10-7-11-20-21(16-28-22(17)20)23(32)24(18-8-5-4-6-9-18)33-26-30-29-25(31(26)2)19-12-14-27-15-13-19/h4-16,24,28H,3H2,1-2H3