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

Systemtic Name: 6-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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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)C5=CC=CS5

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C20H18N4O3S2/c1-11(18(26)12-4-7-15-14(9-12)21-17(25)10-27-15)29-20-23-22-19(16-3-2-8-28-16)24(20)13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,21,25)