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

Systemtic Name: 6-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H12N4O3S2/c21-11(9-3-4-12-10(6-9)17-14(22)7-23-12)8-25-16-18-15(19-20-16)13-2-1-5-24-13/h1-6H,7-8H2,(H,17,22)(H,18,19,20)