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

Systemtic Name: 1-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-acetylindolin-5-yl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-acetylindolin-5-yl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NN=C(N3C)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NN=C(N3C)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-13(29-21-24-23-20(25(21)3)17-5-4-9-22-12-17)19(28)16-6-7-18-15(11-16)8-10-26(18)14(2)27/h4-7,9,11-13H,8,10H2,1-3H3