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

Systemtic Name: 6-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C19H20N4O3S/c1-10(17(25)12-4-7-15-14(8-12)20-16(24)9-26-15)27-19-22-21-18(11-2-3-11)23(19)13-5-6-13/h4,7-8,10-11,13H,2-3,5-6,9H2,1H3,(H,20,24)