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

Systemtic Name: 1-(1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4OS/c1-12(17(24)15-11-20-16-10-6-5-9-14(15)16)25-19-21-18(22-23-19)13-7-3-2-4-8-13/h2-12,20H,1H3,(H,21,22,23)