1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)N2C(CC3=CC=CC=C32)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)N2[C@H](CC3=CC=CC=C32)C)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c1-3-12-25-20(16-8-10-22-11-9-16)23-24-21(25)28-14-19(27)26-15(2)13-17-6-4-5-7-18(17)26/h4-11,15H,3,12-14H2,1-2H3/t15-/m0/s1