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

Systemtic Name: 6-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H20N4O3S/c1-13(2)20-23-21(24-25(20)15-6-4-3-5-7-15)29-12-17(26)14-8-9-18-16(10-14)22-19(27)11-28-18/h3-10,13H,11-12H2,1-2H3,(H,22,27)