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

Systemtic Name: 6-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=NC=C4

InChI

InChI=1S/C19H17N5O3S/c1-2-24-18(12-5-7-20-8-6-12)22-23-19(24)28-11-15(25)13-3-4-16-14(9-13)21-17(26)10-27-16/h3-9H,2,10-11H2,1H3,(H,21,26)