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

Systemtic Name: 6-[2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-cyclopentyltetrazol-5-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-cyclopentyl-5-tetrazolyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-cyclopentyltetrazol-5-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-cyclopentyltetrazol-5-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C17H19N5O3S MolecularWeight: 373.42946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=NN3C4CCCC4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=NN3C4CCCC4

InChI

InChI=1S/C17H19N5O3S/c1-10(26-17-19-20-21-22(17)12-4-2-3-5-12)16(24)11-6-7-14-13(8-11)18-15(23)9-25-14/h6-8,10,12H,2-5,9H2,1H3,(H,18,23)