1-(1H-indol-3-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3C)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3C)C4=CC=NC=C4

InChI

InChI=1S/C19H17N5OS/c1-12(17(25)15-11-21-16-6-4-3-5-14(15)16)26-19-23-22-18(24(19)2)13-7-9-20-10-8-13/h3-12,21H,1-2H3