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

Systemtic Name: 2-[1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C25H19N5OS MolecularWeight: 437.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5OS/c1-16(23-26-20-15-9-8-14-19(20)24(31)28-23)32-25-27-21(17-10-4-2-5-11-17)22(29-30-25)18-12-6-3-7-13-18/h2-16H,1H3,(H,26,28,31)