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

Systemtic Name: 6-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5O3S/c1-3-10-26-20(14-6-8-22-9-7-14)24-25-21(26)30-13(2)19(28)15-4-5-17-16(11-15)23-18(27)12-29-17/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,27)