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

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-indan-5-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-indan-5-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS/c1-13(18(24)17-11-10-14-8-5-9-16(14)12-17)25-20-21-19(22-23-20)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,21,22,23)