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

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-indolin-1-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-indolin-1-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4OS/c1-13(18(24)23-12-11-14-7-5-6-10-16(14)23)25-19-20-17(21-22-19)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,21,22)