1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-2-one CAS Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-2-propanone IUPAC Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetone Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3OS/c1-13(22)12-23-18-19-16(14-8-4-2-5-9-14)17(20-21-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3