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

Systemtic Name: 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C25H18N4O3S MolecularWeight: 454.50042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O3S/c30-20(18-11-12-21-19(13-18)26-22(31)14-32-21)15-33-25-27-23(16-7-3-1-4-8-16)24(28-29-25)17-9-5-2-6-10-17/h1-13H,14-15H2,(H,26,31)