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

Systemtic Name: 6-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CS4

InChI

InChI=1S/C19H18N4O3S2/c1-3-23-18(15-5-4-8-27-15)21-22-19(23)28-11(2)17(25)12-6-7-14-13(9-12)20-16(24)10-26-14/h4-9,11H,3,10H2,1-2H3,(H,20,24)