6-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C22H16N4O3S2/c27-17(14-8-9-18-16(11-14)23-20(28)12-29-18)13-31-22-25-24-21(19-7-4-10-30-19)26(22)15-5-2-1-3-6-15/h1-11H,12-13H2,(H,23,28)