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

Systemtic Name: 6-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-methyl-5-tetrazolyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-methyltetrazol-5-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=NN3C

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=NN3C

InChI

InChI=1S/C13H13N5O3S/c1-7(22-13-15-16-17-18(13)2)12(20)8-3-4-10-9(5-8)14-11(19)6-21-10/h3-5,7H,6H2,1-2H3,(H,14,19)