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

Systemtic Name: 1-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-acetylindolin-5-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-acetylindolin-5-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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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=CN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-14(28-21-23-22-13-25(21)18-6-4-3-5-7-18)20(27)17-8-9-19-16(12-17)10-11-24(19)15(2)26/h3-9,12-14H,10-11H2,1-2H3