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

Systemtic Name: 6-[2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-cyclohexyltetrazol-5-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=NN3C4CCCCC4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=NN3C4CCCCC4

InChI

InChI=1S/C18H21N5O3S/c1-11(27-18-20-21-22-23(18)13-5-3-2-4-6-13)17(25)12-7-8-15-14(9-12)19-16(24)10-26-15/h7-9,11,13H,2-6,10H2,1H3,(H,19,24)