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

Systemtic Name: 6-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C19H16N4O3S2 MolecularWeight: 412.48534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC=CS5

InChI

InChI=1S/C19H16N4O3S2/c24-14(11-3-6-15-13(8-11)20-17(25)9-26-15)10-28-19-22-21-18(16-2-1-7-27-16)23(19)12-4-5-12/h1-3,6-8,12H,4-5,9-10H2,(H,20,25)